SCHEMBL8345663

SCHEMBL8345663

O=C(NCC1CC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.58
ACVR1B P36896 13/20 0.58
CYP3A4 P08684 1/20 0.46
ACVRL1 P37023 11/20 0.46
CNR2 P34972 3/20 0.45
BMPR1A P36894 1/20 0.45
ACVR1 Q04771 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL8348960 0.89 TGFBR1 (0.59) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL8346601 0.89 TGFBR1 (0.56) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL8346606 0.88 TGFBR1 (0.57) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL8345302 0.88 TGFBR1 (0.75) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8348955 0.88 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8344359 0.87 TGFBR1 (0.59) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL8346612 0.87 TGFBR1 (0.53) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL13649378 0.87 TGFBR1 (0.55) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A
SCHEMBL5955569 0.85 TGFBR1 (0.71) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL8348082 0.85 NUDT1 (0.55) TGFBR1ACVR1BCYP3A4ACVRL1BMPR1A

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