SCHEMBL5132640

SCHEMBL5132640

NC(=O)N(c1ccc(-c2cc(CO)n3ncnc(N)c23)cc1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 19/20 0.43
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35

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
SCHEMBL5031488 0.86 ACVRL1 (0.48) ACVRL1AXLMERTK
SCHEMBL58728 0.78 ACVRL1 (0.44) ACVRL1AXLMERTK
SCHEMBL5132559 0.76 ACVRL1 (0.51) ACVRL1MERTK
SCHEMBL5133496 0.72 ACVRL1 (0.48) ACVRL1AXLMERTK
SCHEMBL59573 0.71 ACVRL1 (0.65) ACVRL1
SCHEMBL862462 0.70 AXL (0.41) ACVRL1AXLMERTK
SCHEMBL27747164 0.69 ACVRL1 (0.47) ACVRL1AXLMERTK
SCHEMBL10278402 0.69 ACVRL1 (0.44) ACVRL1AXLMERTK
SCHEMBL59064 0.69 AXL (0.40) ACVRL1AXLMERTK
SCHEMBL22676013 0.69 ACVRL1 (0.50) ACVRL1AXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 — — EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 — — WO disclosed
Send feedback