SCHEMBL8347338

SCHEMBL8347338

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCO

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.59
ACVR1B P36896 15/20 0.59
ACVRL1 P37023 14/20 0.59
BUB1 O43683 3/20 0.50
ACVR1 Q04771 2/20 0.47
BMPR1A P36894 1/20 0.47

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
SCHEMBL13649379 0.95 TGFBR1 (0.55) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL8348081 0.93 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL5954832 0.93 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL5954715 0.93 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL5954828 0.93 TGFBR1 (0.60) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL5955194 0.93 TGFBR1 (0.54) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL8346119 0.93 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL3826786 0.92 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL14223120 0.92 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1BUB1ACVR1
SCHEMBL5955485 0.91 TGFBR1 (0.54) TGFBR1ACVR1BACVRL1BUB1ACVR1

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-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed