SCHEMBL8347266

SCHEMBL8347266

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OCc1cccc(C(=O)C(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.41
ACVR1B P36896 10/20 0.41
ACVRL1 P37023 8/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
PTGER1 P34995 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACVR1 Q04771 1/20 0.37

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
SCHEMBL8347940 0.90 PTGER1 (0.42) TGFBR1MRGPRX4PTGER1CYP3A4CYP2C9
SCHEMBL8348965 0.88 TGFBR1 (0.39) TGFBR1ACVR1BACVRL1MRGPRX4PTGER1
SCHEMBL8344954 0.86 PTGER1 (0.42) TGFBR1ACVR1BACVRL1PTGER1CYP3A4
SCHEMBL8348247 0.83 FLT1 (0.41) TGFBR1ACVR1BACVRL1PTGER1CYP3A4
SCHEMBL8347263 0.83 TGFBR1 (0.42) TGFBR1ACVR1BACVRL1PTGER1CYP3A4
SCHEMBL5955198 0.82 TGFBR1 (0.48) TGFBR1ACVR1BACVRL1MRGPRX4PTGER1
SCHEMBL8346060 0.79 LRRK2 (0.49) TGFBR1ACVR1BACVRL1PTGER1CYP3A4
SCHEMBL8344535 0.79 TGFBR1 (0.41) TGFBR1ACVR1BACVRL1CYP3A4ACVR1
SCHEMBL13649279 0.79 PTGER1 (0.50) TGFBR1ACVR1BACVRL1MRGPRX4PTGER1
SCHEMBL13649278 0.78 TGFBR1 (0.53) TGFBR1ACVR1BACVRL1PTGER1CYP3A4

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