SCHEMBL13739780

SCHEMBL13739780

CCN1CCC(Nc2ncc(C(N)=O)c(NC3CC3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CCNA1 P78396 1/20 0.59
MAPK8 P45983 12/20 0.58
SYK P43405 8/20 0.58
MAPK9 P45984 7/20 0.57
CHEK1 O14757 2/20 0.56
RET P07949 2/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
FLT3 P36888 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK10 P53779 2/20 0.56
STK4 Q13043 2/20 0.56
STK3 Q13188 2/20 0.56
MARK2 Q7KZI7 2/20 0.56
TBK1 Q9UHD2 2/20 0.56
RPS6KA6 Q9UK32 2/20 0.56
NUAK1 O60285 1/20 0.56
JAK2 O60674 1/20 0.56

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
SCHEMBL1355336 0.85 SYK (0.71) MAPK8SYKMAPK9
SCHEMBL17076551 0.84 SYK (0.78) MAPK8SYKMAPK9CHEK1RET
SCHEMBL14658760 0.83 SYK (0.66) MAPK8SYKMAPK9JAK1FLT3
SCHEMBL14658762 0.83 SYK (0.66) MAPK8SYKMAPK9JAK1FLT3
SCHEMBL14659080 0.83 SYK (0.66) MAPK8SYKMAPK9JAK1FLT3
SCHEMBL14667124 0.83 SYK (0.66) MAPK8SYKMAPK9JAK1FLT3
SCHEMBL14659085 0.83 SYK (0.66) MAPK8SYKMAPK9JAK1FLT3
SCHEMBL14657253 0.82 SYK (0.66) MAPK8SYKMAPK9JAK1JAK2
SCHEMBL20920639 0.82 MAPK8 (0.67) MAPK8SYKMAPK9
SCHEMBL14658637 0.81 MAPK8 (0.82) MAPK8SYKMAPK9

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
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 WO disclosed