SCHEMBL8345684

SCHEMBL8345684

Cc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.63
PRKD3 O94806 1/20 0.63
PRKD1 Q15139 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
CYP1A2 P05177 5/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 1/20 0.42
STK17A Q9UEE5 3/20 0.41
AXL P30530 1/20 0.41
STK17B O94768 1/20 0.40
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BUB1 O43683 3/20 0.39
AURKA O14965 1/20 0.39
CYP2C8 P10632 1/20 0.39

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
SCHEMBL8345332 0.85 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8345669 0.84 CYP1A2 (0.50) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8344343 0.81 LATS1 (0.43) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8346012 0.80 TGFBR1 (0.56) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344361 0.79 TGFBR1 (0.55) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8344963 0.79 TGFBR1 (0.53) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344336 0.79 CYP1A2 (0.60) TGFBR1CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL29361383 0.77 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL29381400 0.77 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL411646 0.77 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2

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