SCHEMBL13420186

SCHEMBL13420186

CS(=O)(=O)c1nc(Nc2cccc(N)c2)ncc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.52
IGF1R P08069 3/20 0.48
KDR P35968 3/20 0.48
CDK1 P06493 2/20 0.48
CDK2 P24941 2/20 0.48
ABL1 P00519 6/20 0.47
SRC P12931 4/20 0.47
BCR P11274 2/20 0.47
PRKACA P17612 2/20 0.47
EGFR P00533 2/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
PTK2 Q05397 3/20 0.44
BLK P51451 3/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALK Q9UM73 2/20 0.43
FLT3 P36888 2/20 0.43
CDK5 Q00535 2/20 0.43

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
SCHEMBL3448047 0.86 PTK2 (0.53) SYKKDRCDK1CDK2ABL1
SCHEMBL3345631 0.82 SYK (0.54) SYKIGF1RKDRCDK1CDK2
SCHEMBL3448927 0.80 CDK1 (0.44) KDRCDK1CDK2PTK2CDK5
SCHEMBL13420174 0.77 SYK (0.54) SYKIGF1RKDRCDK2ABL1
SCHEMBL3450272 0.77 GRM4 (0.44) KDRCDK1CDK2PTK2ALK
SCHEMBL3448567 0.76 HDAC3 (0.46) KDRCDK1CDK2PTK2ALK
SCHEMBL3344725 0.76 CA12 (0.50) SYKKDRCDK1CDK2AURKA
SCHEMBL5504084 0.73 SYK (0.59) SYKIGF1RKDRABL1SRC
SCHEMBL13166197 0.72 JAK3 (0.71) SYKIGF1RKDRCDK1CDK2
SCHEMBL14140920 0.71 CDK1 (0.62) SYKIGF1RKDRCDK1CDK2

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-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed