SCHEMBL13420174

SCHEMBL13420174

CSc1nc(Nc2cccc(N)c2)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.54
IGF1R P08069 3/20 0.50
ABL1 P00519 5/20 0.46
SRC P12931 3/20 0.46
BCR P11274 2/20 0.46
EGFR P00533 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
KDR P35968 1/20 0.44
MAP3K5 Q99683 1/20 0.44
CDK5 Q00535 1/20 0.44
BLK P51451 2/20 0.43
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK14 Q16539 1/20 0.43
CDK19 Q9BWU1 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL3344744 0.81 SYK (0.56) SYKIGF1RCDK4CDK2
SCHEMBL3448943 0.80 PTK2 (0.50) SYKABL1KDRCDK5CDK2
SCHEMBL4584347 0.78 IGF1R (0.48) SYKIGF1REGFRKDRCDK2
SCHEMBL3449221 0.77 KDR (0.42) SYKIGF1RKDRCDK2AURKA
SCHEMBL13420186 0.77 SYK (0.52) SYKIGF1RABL1SRCBCR
SCHEMBL14140920 0.76 CDK1 (0.62) SYKIGF1RKDRCDK2
SCHEMBL5504084 0.75 SYK (0.59) SYKIGF1RABL1SRCBCR
SCHEMBL3450501 0.75 HDAC3 (0.44) SYKIGF1RKDRCDK4CDK2
SCHEMBL3350947 0.74 MAPK1 (0.51) SYKIGF1REGFR
SCHEMBL13169363 0.74 ABL1 (0.58) SYKABL1SRCBCREGFR

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