SCHEMBL8347181

SCHEMBL8347181

COc1ccccc1-c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.47
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
ACVR1B P36896 1/20 0.39
ACVRL1 P37023 1/20 0.39
BUB1 O43683 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
TGFBR2 P37173 3/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL8347168 0.88 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8344223 0.82 TGFBR1 (0.40) TGFBR1CYP3A4LMNAPRKD3PRKD1
SCHEMBL8344954 0.81 PTGER1 (0.42) TGFBR1CYP3A4PRKD3PRKD1PRKD2
SCHEMBL8347946 0.80 FLT1 (0.43) TGFBR1CYP3A4PRKD3PRKD1PRKD2
SCHEMBL8347398 0.80 TGFBR1 (0.40) TGFBR1CYP3A4PRKD3PRKD1PRKD2
SCHEMBL8346587 0.80 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2ACVR1B
SCHEMBL8344445 0.80 TGFBR1 (0.44) TGFBR1CYP3A4PRKD3PRKD1PRKD2
SCHEMBL8344535 0.80 TGFBR1 (0.41) TGFBR1CYP3A4PRKD3PRKD1PRKD2
SCHEMBL8348247 0.80 FLT1 (0.41) TGFBR1CYP3A4MAPK1MAPTPRKD3
SCHEMBL8345867 0.79 TGFBR1 (0.51) TGFBR1CYP3A4PRKD3PRKD1PRKD2

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