SCHEMBL16888488

SCHEMBL16888488

Cc1c[n+]([O-])c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.58
NUDT1 P36639 1/20 0.48
ACVR1B P36896 14/20 0.46
ACVRL1 P37023 11/20 0.46
ACVR1 Q04771 3/20 0.46
BMPR1A P36894 1/20 0.46

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
SCHEMBL18219787 0.87 NUDT1 (0.47) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL16888490 0.85 TGFBR1 (0.40) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL22270337 0.81 TGFBR1 (0.79) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21620739 0.75 TGFBR1 (0.57) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL18219788 0.73 MAPK14 (0.35) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL21620589 0.73 TGFBR1 (0.57) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL21617838 0.73 TGFBR1 (0.64) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL21620670 0.73 TGFBR1 (0.57) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL21620605 0.73 TGFBR1 (0.57) TGFBR1NUDT1ACVR1BACVRL1ACVR1
SCHEMBL16888489 0.72 TGFBR1 (0.55) TGFBR1ACVR1BACVRL1ACVR1BMPR1A

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-2015103355-A1 COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-09 WO disclosed