SCHEMBL7909158

SCHEMBL7909158

C=C(O)c1nn(C)c2c1CCCc1cccnc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.37
CDK2 P24941 13/20 0.37
CCNA1 P78396 12/20 0.37
AURKA O14965 8/20 0.37
PLK1 P53350 5/20 0.37
TTK P33981 7/20 0.36
CDK4 P11802 4/20 0.36
CCND3 P30281 4/20 0.36
CDK6 Q00534 4/20 0.36
PLK3 Q9H4B4 2/20 0.36
PLK2 Q9NYY3 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL7911087 0.87 CDK2 (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL2548366 0.79 CDK2 (0.57) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL7903264 0.74 GRM5 (0.63)
SCHEMBL7913600 0.72 TDP1 (0.47) TTKCHRM2HTR1ACHRM1DRD2
SCHEMBL2540871 0.71 CCNA2 (0.60) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL4912110 0.68 TSHR (0.43) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL2186516 0.67 CDK2 (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL10044909 0.67 PTAFR (0.39) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL2548991 0.66 AURKA (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL2550010 0.65 CDK2 (0.43) CCNA2CDK2CCNA1AURKAPLK1

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-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed