SCHEMBL12698166

SCHEMBL12698166

CCCC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.79
PIM1 P11309 2/20 0.79
PIM2 Q9P1W9 2/20 0.79
CDK2 P24941 12/20 0.70
AURKA O14965 8/20 0.70
CCNA2 P20248 8/20 0.70
CDK4 P11802 5/20 0.70
CDK6 Q00534 5/20 0.70
CCND3 P30281 4/20 0.70
CCNA1 P78396 3/20 0.57
GAK O14976 1/20 0.55
BUB1 O43683 1/20 0.55
CCNT1 O60563 1/20 0.55
ULK1 O75385 1/20 0.55
STK16 O75716 1/20 0.55
PRKD3 O94806 1/20 0.55
LATS1 O95835 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
NTRK1 P04629 1/20 0.55

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
SCHEMBL15377682 0.89 TTK (0.85) TTKPIM1PIM2CDK2AURKA
SCHEMBL12698351 0.88 TTK (1.00) TTKPIM1PIM2CDK2AURKA
SCHEMBL15385485 0.88 TTK (0.77) TTKPIM1PIM2CDK2AURKA
Hydrochloric Acid SCHEMBL12499339 0.87 TTK (0.76) TTKPIM1PIM2CDK2AURKA
SCHEMBL12698401 0.85 TTK (0.77) TTKPIM1PIM2CDK2AURKA
SCHEMBL12698391 0.84 TTK (0.74) TTKPIM1PIM2CDK2AURKA
Trifluoroacetic Acid SCHEMBL15377924 0.84 TTK (0.90) TTKPIM1PIM2CDK2AURKA
SCHEMBL18798565 0.82 CDK2 (0.78) TTKPIM1PIM2CDK2AURKA
SCHEMBL15377577 0.82 TTK (0.71) TTKPIM1PIM2CDK2AURKA
SCHEMBL4166117 0.82 CDK2 (1.00) TTKPIM1PIM2CDK2AURKA

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-2012101029-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 WO disclosed