SCHEMBL14532800

SCHEMBL14532800

NC(=O)c1nn(-c2ccccc2)c2c1COc1ccc(F)cc1-2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 10/20 0.52
▸ CDK2 P24941 10/20 0.52
▸ CCNA1 P78396 10/20 0.52
▸ PIK3CD O00329 3/20 0.47
▸ PIK3R2 O00459 3/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ PIK3R5 Q8WYR1 3/20 0.47
▸ PIK3R3 Q92569 3/20 0.47
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ IKBKB O14920 3/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL14502642 0.88 CCNA2 (0.53) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL5255628 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1IKBKB
SCHEMBL14532847 0.84 ALDH1A1 (0.55) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL5255911 0.83 CCNA2 (0.46) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL14502646 0.83 PIK3CD (0.51) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL5254406 0.79 IKBKB (0.60) IKBKB
SCHEMBL5254000 0.78 IKBKB (0.55) CCNA2CDK2CCNA1IKBKB
SCHEMBL9832871 0.77 PTGS1 (0.49) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL5257991 0.76 IKBKB (0.55) CCNA2CDK2CCNA1IKBKB
SCHEMBL5254936 0.76 IKBKB (0.76) IKBKB

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
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
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