SCHEMBL2655702

SCHEMBL2655702

C[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.40
IRAK4 Q9NWZ3 3/20 0.36
FGFR1 P11362 4/20 0.36
ROCK1 Q13464 1/20 0.34
CDK2 P24941 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
SCHEMBL2658638 0.88 LCK (0.35) LCKIRAK4FGFR1
SCHEMBL2657525 0.85 GABRP (0.36) LCKIRAK4FGFR1ROCK1CDK2
SCHEMBL2656663 0.85 GABRA1 (0.43) LCKIRAK4FGFR1
SCHEMBL2657177 0.81 GABRA1 (0.51) LCKFGFR1
SCHEMBL2657138 0.79 GABRA1 (0.53) IRAK4FGFR1CDK2
SCHEMBL2669851 0.78 LCK (0.43) LCKIRAK4FGFR1ROCK1
SCHEMBL2657774 0.76 JAK2 (0.43) LCKIRAK4CDK2
SCHEMBL2659103 0.76 FGFR1 (0.43) FGFR1
SCHEMBL1616006 0.73 FGFR1 (0.44) FGFR1
SCHEMBL1615750 0.73 FGFR1 (0.44) FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010055126-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO claimed
WO-2010055126-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed