SCHEMBL8348251

SCHEMBL8348251

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1-c1c(C)noc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.41
TGFBR2 P37173 2/20 0.41
PRKD3 O94806 1/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CYP3A4 P08684 7/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP1A2 P05177 6/20 0.39
CYP2C19 P33261 5/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C8 P10632 1/20 0.38
ALOX15 P16050 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 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
SCHEMBL8347398 0.81 TGFBR1 (0.40) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344445 0.81 TGFBR1 (0.44) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8345867 0.80 TGFBR1 (0.51) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8345869 0.80 TGFBR1 (0.46) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8347168 0.79 TGFBR1 (0.47) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8347181 0.79 TGFBR1 (0.47) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344535 0.77 TGFBR1 (0.41) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8345668 0.76 TGFBR1 (0.40) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8347946 0.76 FLT1 (0.43) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344223 0.76 TGFBR1 (0.40) TGFBR1TGFBR2PRKD3PRKD1PRKD2

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