SCHEMBL22270337

SCHEMBL22270337

Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.79
ACVR1B P36896 12/20 0.62
ACVRL1 P37023 10/20 0.62
ACVR1 Q04771 3/20 0.62
BMPR1A P36894 1/20 0.62
CYP3A4 P08684 2/20 0.60
CYP2C8 P10632 1/20 0.56

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
SCHEMBL22270338 0.89 TGFBR1 (0.79) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879386 0.84 TGFBR1 (0.82) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879337 0.84 TGFBR1 (0.66) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL18219797 0.83 TGFBR1 (0.84) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879195 0.83 TGFBR1 (0.84) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16888489 0.82 TGFBR1 (0.55) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16888488 0.81 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL29409536 0.80 TGFBR1 (0.61) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879606 0.79 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL18219801 0.78 TGFBR1 (0.68) TGFBR1ACVR1BACVRL1ACVR1CYP3A4

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
EP-3089971-B1 COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2020-07-29 EP disclosed