SCHEMBL2669510

SCHEMBL2669510

Nc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 7/20 0.34
▸ ACVRL1 P37023 6/20 0.34
▸ BMPR1A P36894 5/20 0.34
▸ POLB P06746 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ IL4I1 Q96RQ9 1/20 0.30

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
SCHEMBL2669509 0.90 ACVR1 (0.40) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2661471 0.88 HSD11B1 (0.36) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2669394 0.87 GRM5 (0.36) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL4924879 0.85 TSHR (0.35) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2656099 0.84 PARP1 (0.35) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2669396 0.81 PARP1 (0.35) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2660877 0.81 MAPK1 (0.43) POLBPARP1HTTESR2MAPK1
SCHEMBL2669594 0.81 BMPR1A (0.40) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2657795 0.81 HSP90AA1 (0.39) ACVR1ACVRL1BMPR1APOLBPARP1
SCHEMBL2669424 0.80 MAPK1 (0.36) ACVR1ACVRL1BMPR1APOLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
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