SCHEMBL7822155

SCHEMBL7822155

BrC1Cc2ccccc2C(Cc2ncnc3nc[nH]c23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
CLK1 P49759 1/20 0.40
TSHR P16473 2/20 0.37
CDC7 O00311 5/20 0.36
DBF4 Q9UBU7 5/20 0.36
MAPK1 P28482 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CDK2 P24941 1/20 0.35
RECQL P46063 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
MEN1 O00255 1/20 0.34
HTR3B O95264 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7835862 0.79 LMNA (0.41) LMNAHTTHSD17B10PKMCLK1
SCHEMBL7821652 0.75 CDC7 (0.43) LMNAHTTHSD17B10PKMCLK1
SCHEMBL7821765 0.75 CDC7 (0.46) LMNAHTTHSD17B10PKMCLK1
SCHEMBL7835879 0.66 PDPK1 (0.40) LMNAHTTHSD17B10PKMCLK1
Hydrochloric Acid SCHEMBL7836200 0.65 PDPK1 (0.39) LMNAHTTHSD17B10PKMCLK1
SCHEMBL7830573 0.64 CDK1 (0.56) LMNAHTTHSD17B10PKMCLK1
SCHEMBL5384434 0.63 CDC7 (0.59) LMNAHTTHSD17B10TSHRCDC7
SCHEMBL7834591 0.63 CDC7 (0.50) LMNAHTTHSD17B10PKMTSHR
SCHEMBL27903164 0.63 PI4KA (0.47) LMNAHTTHSD17B10TSHRCDC7
SCHEMBL8707168 0.62 LMNA (0.62) LMNAHTTHSD17B10TSHRCDC7

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-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP claimed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO claimed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed