SCHEMBL2769381

SCHEMBL2769381

Cc1ccccc1COc1cncc2c(C)c(C)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
AHR P35869 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
SGMS2 Q8NHU3 3/20 0.39
ACHE P22303 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SGMS1 Q86VZ5 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL2769608 0.99 ADRA2A (0.39) ADRA2AADRA2BADRA2CAHRCDK4
SCHEMBL2771388 0.84 AOC3 (0.49) CYP2C9CYP2C19MAOB
Hydrochloric Acid SCHEMBL2768923 0.83 AOC3 (0.51) CYP2C9CYP2C19MAOB
Hydrochloric Acid SCHEMBL2769962 0.77 INPPL1 (0.43) KMT2ACYP1A2CYP3A4CYP2C19SLC26A4
SCHEMBL2769084 0.76 MEN1 (0.41) ACHEKMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2770459 0.75 HTT (0.40) ACHEKMT2AMAOBMPORAB9A
SCHEMBL5810951 0.75 CYP1A2 (0.48) ADRA2AADRA2BADRA2CAHRCDK4
SCHEMBL5810790 0.69 CYP1A2 (0.42) ADRA2AADRA2BADRA2CAHRACHE
SCHEMBL3521430 0.68 CDK4 (0.60) ADRA2AADRA2BADRA2CCDK4CCND1
Bromide SCHEMBL27650271 0.66 CDK4 (0.58) ADRA2AADRA2BADRA2CCDK4CCND1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP claimed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP claimed
EP-1805177-A4 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-07-29 EP disclosed
EP-1805177-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-07-11 EP disclosed
WO-2006025715-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed