SCHEMBL8347263

SCHEMBL8347263

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OCc1ccc(C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.42
BUB1 O43683 5/20 0.40
ACVRL1 P37023 3/20 0.39
ACVR1B P36896 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 2/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1 Q04771 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK1 P28482 1/20 0.37
PTGER1 P34995 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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 0.91 PTGER1 (0.42) TGFBR1BUB1CYP3A4PTGER1CYP2C9
SCHEMBL8348247 0.91 FLT1 (0.41) TGFBR1BUB1ACVRL1ACVR1BKCNH2
SCHEMBL5955392 0.89 NUDT1 (0.50) TGFBR1BUB1ACVRL1ACVR1BBMPR1A
SCHEMBL8344954 0.88 PTGER1 (0.42) TGFBR1BUB1ACVRL1ACVR1BCYP3A4
SCHEMBL8348965 0.85 TGFBR1 (0.39) TGFBR1BUB1ACVRL1ACVR1BCYP3A4
SCHEMBL8347944 0.84 TGFBR1 (0.50) TGFBR1BUB1ACVRL1ACVR1BCYP3A4
SCHEMBL8345668 0.83 TGFBR1 (0.40) TGFBR1BUB1ACVRL1ACVR1BKCNH2
SCHEMBL8347266 0.83 TGFBR1 (0.41) TGFBR1ACVRL1ACVR1BCYP3A4ACVR1
SCHEMBL5955198 0.82 TGFBR1 (0.48) TGFBR1BUB1ACVRL1ACVR1BCYP3A4
SCHEMBL8347168 0.81 TGFBR1 (0.47) TGFBR1BUB1ACVRL1ACVR1BFLT1

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