SCHEMBL31040239

SCHEMBL31040239

O=C(Nc1n[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.65
FGFR3 P22607 3/20 0.65
FGFR2 P21802 2/20 0.65
HDAC6 Q9UBN7 3/20 0.60
CDK7 P50613 7/20 0.60
JAK2 O60674 2/20 0.56
JAK1 P23458 1/20 0.56
FLT3 P36888 2/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
CDC7 O00311 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
MAPK13 O15264 1/20 0.54
PDPK1 O15530 1/20 0.54
DAPK3 O43293 1/20 0.54
ROCK2 O75116 1/20 0.54

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
SCHEMBL627899 1.00 FGFR1 (0.65) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL628194 0.88 HDAC6 (0.64) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL622021 0.88 FLT3 (0.59) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL2144970 0.85 FLT3 (0.55) FGFR1FGFR3FGFR2HDAC6FLT3
SCHEMBL627833 0.84 FGFR1 (0.81) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL628872 0.84 FGFR1 (0.69) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL18812677 0.84 CDK7 (0.63) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL627865 0.83 ABCG2 (0.57) FGFR1FGFR3FGFR2HDAC6CDK2
SCHEMBL17028029 0.83 FGFR1 (0.48) FGFR1FGFR3FGFR2HDAC6CDK7
SCHEMBL761113 0.83 JAK2 (0.62) FGFR1FGFR3FGFR2HDAC6CDK7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515665-A Benzamidoazaindole derivatives, methods of preparation, compositions comprising the same and uses thereof 哈尔滨医科大学 2024-08-20 CN claimed
CN-118515665-A Benzamidoazaindole derivatives, methods of preparation, compositions comprising the same and uses thereof 哈尔滨医科大学 2024-08-20 CN disclosed
CN-118515665-A Benzamidoazaindole derivatives, methods of preparation, compositions comprising the same and uses thereof 哈尔滨医科大学 2024-08-20 CN disclosed
CN-118515665-A Benzamidoazaindole derivatives, methods of preparation, compositions comprising the same and uses thereof 哈尔滨医科大学 2024-08-20 CN disclosed