SCHEMBL8302831

SCHEMBL8302831

Cc1cc(F)c(C(=O)Nc2c[nH]nc2-c2nc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ATR Q13535 4/20 0.42
FLT3 P36888 5/20 0.41
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR3 P22607 2/20 0.41
KDR P35968 2/20 0.41
PTK6 Q13882 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PRSS12 P56730 1/20 0.36

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
SCHEMBL1646019 0.92 FGFR1 (0.49) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL8302860 0.92 ATR (0.46) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL13446029 0.90 ATR (0.43) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL13446030 0.89 ATR (0.44) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL13446028 0.88 FGFR1 (0.47) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL1645356 0.87 ATR (0.43) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL13544986 0.87 FGFR1 (0.48) BRD4ATRFLT3FGFR1FGFR2
SCHEMBL1646399 0.85 ATR (0.44) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL13544987 0.85 RAB9A (0.44) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL1646675 0.85 BRD4 (0.42) BRD4ATRFGFR1FGFR2FGFR3

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-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed