SCHEMBL8345869

SCHEMBL8345869

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.46
ACVR1B P36896 3/20 0.46
ACVRL1 P37023 2/20 0.46
BMPR1A P36894 1/20 0.46
ACVR1 Q04771 1/20 0.46
PRKD3 O94806 1/20 0.41
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
TGFBR2 P37173 4/20 0.41
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 1/20 0.38
IDO1 P14902 1/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
MAPK3 P27361 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
SCHEMBL8346612 0.85 TGFBR1 (0.53) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8345576 0.84 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8346606 0.84 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8344445 0.83 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1ACVR1PRKD3
SCHEMBL8345867 0.82 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8344359 0.82 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8347168 0.82 TGFBR1 (0.47) TGFBR1ACVR1BACVRL1PRKD3PRKD1
SCHEMBL8348021 0.81 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8348082 0.81 NUDT1 (0.55) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8348197 0.81 TGFBR1 (0.54) 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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed