SCHEMBL17320235

SCHEMBL17320235

NC(=O)C1C2C#CC(C2)C1Nc1nc(Nc2ccc(Cc3ccncc3)cc2)nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
SYK P43405 8/20 0.34
LTA4H P09960 1/20 0.34
IRAK4 Q9NWZ3 7/20 0.34
MAP3K7 O43318 4/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
NEK2 P51955 1/20 0.32

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
SCHEMBL10171484 0.86 IRAK4 (0.47) SYKIRAK4MAP3K7
SCHEMBL10172039 0.86 IRAK4 (0.47) SYKIRAK4MAP3K7
SCHEMBL12112150 0.77 IRAK4 (0.37) SYKIRAK4MAP3K7
SCHEMBL10171297 0.73 ADORA3 (0.53)
SCHEMBL10172030 0.73 IRAK4 (0.47) SYKIRAK4MAP3K7
SCHEMBL10171496 0.72 IRAK4 (0.60) SYKIRAK4MAP3K7
SCHEMBL10171485 0.71 KDR (0.51) SYKIRAK4MAP3K7CDK1CDK2
SCHEMBL10171260 0.71 IRAK4 (0.51) IRAK4MAP3K7
SCHEMBL12112326 0.71 KDR (0.46) SYKIRAK4MAP3K7
SCHEMBL14513339 0.71 KDR (0.46) SYKIRAK4MAP3K7

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-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed