SCHEMBL1968408

SCHEMBL1968408

NC(=O)c1ccc(-n2c(Nc3c(Cl)cccc3Cl)nc3cc(S(=O)(=O)O)ccc32)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.42
KIF11 P52732 6/20 0.38
CYP2C9 P11712 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
S1PR1 P21453 1/20 0.37
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
RORC P51449 1/20 0.34
HPGD P15428 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL1969959 0.92 LCK (0.47) LCKKIF11CYP2C9PIK3CDPIK3CA
SCHEMBL1967031 0.80 LCK (0.42) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1967758 0.79 LCK (0.45) LCKKIF11CYP2C9PIK3CDPIK3CA
SCHEMBL1964624 0.78 LCK (0.45) LCKCYP2C9PIK3CDPIK3CAPIK3CB
SCHEMBL1965650 0.76 LCK (0.43) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1966409 0.74 LCK (0.42) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1964840 0.73 LCK (0.47) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1965246 0.73 LCK (0.39) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1973510 0.72 HSD17B10 (0.44) LCKPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1965823 0.69 LCK (0.42) LCKPIK3CDPIK3CAPIK3CBMTOR

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
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed