SCHEMBL8345329

SCHEMBL8345329

Fc1ccc(Cl)cc1-c1nccc(Nc2ccncc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.58
PRKD3 O94806 1/20 0.58
PRKD1 Q15139 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
CYP1A2 P05177 8/20 0.49
CYP3A4 P08684 8/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C19 P33261 7/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 4/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 4/20 0.44
LMNA P02545 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
ALOX15 P16050 3/20 0.44
MPL P40238 1/20 0.43
BUB1 O43683 3/20 0.43
HSD17B10 Q99714 3/20 0.42

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
SCHEMBL8348278 0.88 CYP1A2 (0.53) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8348223 0.82 CYP1A2 (0.59) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8348238 0.79 TGFBR1 (0.53) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8345684 0.77 TGFBR1 (0.63) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL4106826 0.77 TGFBR1 (0.55) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8344338 0.77 CYP1A2 (0.53) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22270329 0.76 TGFBR1 (0.62) TGFBR1PRKD3PRKD1PRKD2CYP3A4
SCHEMBL15985681 0.75 LMNA (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8347442 0.74 BUB1 (0.51) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8345332 0.74 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2BUB1

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