SCHEMBL17745997

SCHEMBL17745997

COCCNC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2.Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.71
PIM1 P11309 2/20 0.71
PIM2 Q9P1W9 2/20 0.71
CDK2 P24941 16/20 0.65
CCNA2 P20248 12/20 0.65
AURKA O14965 11/20 0.65
CCNA1 P78396 8/20 0.65
CDK4 P11802 5/20 0.64
CCND3 P30281 5/20 0.64
CDK6 Q00534 5/20 0.64
PLK1 P53350 3/20 0.55
PLK3 Q9H4B4 3/20 0.55
PLK2 Q9NYY3 3/20 0.55
RPS6KA4 O75676 1/20 0.53
CDK1 P06493 1/20 0.53
KIT P10721 1/20 0.53
IMPDH2 P12268 1/20 0.53
CCNB1 P14635 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CCNE1 P24864 1/20 0.53

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
SCHEMBL12698391 0.90 TTK (0.74) TTKPIM1PIM2CDK2CCNA2
SCHEMBL17745983 0.88 CDK2 (0.71) TTKPIM1PIM2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL15377699 0.87 TTK (0.68) TTKPIM1PIM2CDK2CCNA2
SCHEMBL15378100 0.86 CDK2 (0.65) TTKCDK2CCNA2AURKACCNA1
SCHEMBL15377616 0.84 CDK2 (0.75) TTKPIM1PIM2CDK2CCNA2
SCHEMBL12698351 0.84 TTK (1.00) TTKPIM1PIM2CDK2CCNA2
SCHEMBL4171285 0.84 CDK2 (0.83) TTKPIM1PIM2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL15377924 0.81 TTK (0.90) TTKPIM1PIM2CDK2CCNA2
SCHEMBL15377856 0.81 CCNA2 (0.89) TTKPIM1PIM2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL15377887 0.81 CDK2 (0.70) TTKPIM1PIM2CDK2CCNA2

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-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 EP claimed