SCHEMBL1018116

SCHEMBL1018116

CC(C)(C)C(NC(=O)O)C1CCN(c2nc(Cl)ncc2C2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
HCRTR2 O43614 3/20 0.34
NEK2 P51955 2/20 0.33
CKS1B P61024 3/20 0.33
SKP1 P63208 3/20 0.33
SKP2 Q13309 3/20 0.33
CNR2 P34972 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GPR6 P46095 2/20 0.32
SSTR4 P31391 1/20 0.31

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
SCHEMBL1018733 0.86 ABL1 (0.51) ABL1BCRHCRTR2CKS1BSKP1
SCHEMBL1018019 0.81 CNR1 (0.35) ABL1BCRHCRTR2NEK2CKS1B
SCHEMBL1021391 0.78 RAF1 (0.32) ABL1BCRCKS1BSKP1SKP2
SCHEMBL4307471 0.75 CKS1B (0.41) CKS1BSKP1SKP2
SCHEMBL4307476 0.73 SMN1; SMN2 (0.36) ABL1BCRHCRTR2NEK2SMN1; SMN2
SCHEMBL1018117 0.73 CNR2 (0.39) ABL1BCRHCRTR2NEK2CKS1B
SCHEMBL12083122 0.71 CKS1B (0.53) CKS1BSKP1SKP2
SCHEMBL27912561 0.71 PDE10A (0.44) ABL1BCRHCRTR2CNR2
SCHEMBL2521767 0.70 PIM1 (0.40) CKS1BSKP1SKP2
SCHEMBL785864 0.69 ITGB3 (0.43)

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed