SCHEMBL5146643

SCHEMBL5146643

NC(=O)N(c1ccc(-c2cc(C3CCNCC3)n3ncnc(N)c23)cc1F)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 11/20 0.53
TYRO3 Q06418 4/20 0.47
PIK3CD O00329 2/20 0.40
RIPK1 Q13546 1/20 0.40
BTK Q06187 1/20 0.39
PLAT P00750 1/20 0.39

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
SCHEMBL5139204 0.91 ACVRL1 (0.48) ACVRL1TYRO3PIK3CD
SCHEMBL5116564 0.90 ACVRL1 (0.51) ACVRL1TYRO3BTK
SCHEMBL59782 0.81 ACVRL1 (0.53) ACVRL1TYRO3RIPK1BTK
SCHEMBL5132542 0.81 ACVRL1 (0.51) ACVRL1RIPK1
SCHEMBL83034 0.79 TYRO3 (0.49) ACVRL1TYRO3PIK3CD
SCHEMBL5146988 0.79 ACVRL1 (0.44) ACVRL1TYRO3
SCHEMBL58550 0.78 TYRO3 (0.58) ACVRL1TYRO3RIPK1BTK
SCHEMBL59129 0.78 ACVRL1 (0.51) ACVRL1TYRO3RIPK1BTK
SCHEMBL842395 0.77 ACVRL1 (0.41) ACVRL1PIK3CDRIPK1
SCHEMBL59118 0.77 ACVRL1 (0.57) ACVRL1TYRO3RIPK1BTK

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 claimed
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 claimed