SCHEMBL2115353

SCHEMBL2115353

CCN(CC)CCCNc1ccnc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.68
CCR4 P51679 6/20 0.53
IGF1R P08069 1/20 0.47
DNM2 P50570 2/20 0.46
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46
SYK P43405 1/20 0.45
SCN9A Q15858 2/20 0.45
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 1/20 0.44
STK17B O94768 2/20 0.44
CDK1 P06493 1/20 0.43
SLC2A1 P11166 1/20 0.43
KDR P35968 1/20 0.43
PLK1 P53350 1/20 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
SCHEMBL20154728 0.81 STK17A (1.00) STK17ASCN9ASTK17B
SCHEMBL2272514 0.76 MEN1 (0.53) CCR4KCNH2CDK1SLC2A1
SCHEMBL3439824 0.74 CDK1 (0.59) STK17ACCR4IGF1RDNM2CDK4
SCHEMBL379222 0.74 AURKA (0.69) STK17ACDK4CDK2SYKSCN9A
SCHEMBL1917372 0.74 STK17A (0.73) STK17ASTK17B
SCHEMBL14021247 0.74 JAK2 (0.66) IGF1RCDK2
SCHEMBL18930076 0.74 TLR8 (0.47) CCR4DNM2CDK1KDR
SCHEMBL3439836 0.72 CDK1 (0.56) STK17ACCR4IGF1RDNM2CDK4
SCHEMBL22508313 0.72 STK17A (0.73) STK17ASYKSTK17B
SCHEMBL22508341 0.71 STK17A (0.76) STK17ACDK4CDK2SYKSCN9A

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
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US claimed