SCHEMBL7032974

SCHEMBL7032974

Cc1nc2ccc(NC3=NCCN3)c(Br)c2nc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 17/20 0.73
ADRA2C P18825 17/20 0.73
ADRA2B P18089 16/20 0.73
ADRA1D P25100 14/20 0.73
ADRA1A P35348 13/20 0.66
ADRA1B P35368 12/20 0.66
KDM4E B2RXH2 1/20 0.66
NR1I2 O75469 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
MAPK1 P28482 1/20 0.66
BLM P54132 1/20 0.66
HSD17B10 Q99714 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7031798 0.85 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL253111 0.85 ADRA2A (0.82) ADRA2AADRA2CADRA2BADRA1DADRA1A
Brimonidine SCHEMBL20511531 0.80 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1A
Brimonidine SCHEMBL24670 0.80 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1A
Brimonidine SCHEMBL29374525 0.80 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1A
Brimonidine SCHEMBL1685506 0.78 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1DADRA1A
Brimonidine SCHEMBL22616115 0.78 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL251823 0.78 ADRA2A (0.75) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL7027501 0.78 ADRA2A (0.61) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL7027488 0.78 ADRA2A (0.61) ADRA2AADRA2CADRA2BADRA1DADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285657-A2 Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives Allergan, Inc. (US) 2003-02-26 EP disclosed
EP-0723447-B1 USE OF (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN INC (US) 2002-12-11 EP disclosed
US-6323204-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIISCHEMIC AGENTS ALLERGAN 2001-11-27 US disclosed
EP-1140095-A1 (2-IMIDAZOLINE-2-YLAMINO) QUINOXALINE DERIVATIVES FOR THE TREATMENT OF PAIN Allergan Sales, Inc. (US) 2001-10-10 EP disclosed
WO-2000038684-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES FOR THE TREATMENT OF PAIN ALLERGAN SALES, INC. (US) 2000-07-06 WO disclosed
US-5773440-A ANTIINFLAMMATORY AGENT ALLERGAN (US) 1998-06-30 US disclosed
US-5756503-A ANALGESICS, ANESTHETICS, ANTIINFLAMMATORY AGENTS ALLERGAN (US) 1998-05-26 US disclosed
US-5714486-A ADMINISTERING TO MAMMAL TO ANESTHETIZE CENTRAL NERVOUS SYSTEM ALLERGAN (US) 1998-02-03 US disclosed
US-5703077-A ANALGESICS; ANESTHETICS; ANTIISCHEMIC AGENTS; DECONGESTANTS; ANTIINFLAMMATORY AGENTS ALLERGAN (US) 1997-12-30 US disclosed
US-5587376-A ANTIISCHEMIC AGENTS, DECONGESTANTS ALLERGAN (US) 1996-12-24 US disclosed
US-5561132-A ADMINISTERING TO ALTER RATE OF FLUID TRANSPORT IN GASTROINTESTINAL TRACT ALLERGAN (US) 1996-10-01 US disclosed
US-5552403-A ANTIISCHEMIC AGENTS ALLERGAN (US) 1996-09-03 US disclosed
EP-0723447-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES Allergan (US) 1996-07-31 EP disclosed
EP-0426390-B1 Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure ALLERGAN INC (US) 1995-05-10 EP disclosed
WO-1995010280-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN (US) 1995-04-20 WO disclosed
US-5021416-A Glaucoma ALLERGAN, INC. (US) 1991-06-04 US disclosed
EP-0426390-A2 Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure ALLERGAN, INC. (US) 1991-05-08 EP disclosed