SCHEMBL1021391

SCHEMBL1021391

CC(C)(C)C(NC(=O)O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
SLC9A1 P19634 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
FLT4 P35916 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PRKCD Q05655 1/20 0.30
PAK1 Q13153 1/20 0.30
MAPKAPK3 Q16644 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
AKT2 P31751 1/20 0.30

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 0.78 ABL1 (0.51) ABL1BCRCKS1BSKP1SKP2
SCHEMBL1018116 0.78 ABL1 (0.39) ABL1BCRCKS1BSKP1SKP2
SCHEMBL1021392 0.76 ENPP1 (0.33) PIM1CDK2FLT4CSNK2A1PRKCD
SCHEMBL4304305 0.76 CKS1B (0.38) CKS1BSKP1SKP2
SCHEMBL4304311 0.76 JAK3 (0.36)
SCHEMBL1018019 0.74 CNR1 (0.35) ABL1BCRCKS1BSKP1SKP2
SCHEMBL27930642 0.73 PIK3CD (0.43)
SCHEMBL12082491 0.73 CKS1B (0.49) CKS1BSKP1SKP2
SCHEMBL3876920 0.72 KIT (0.45) CDK2CKS1BSKP1SKP2
SCHEMBL15654942 0.71 LMNA (0.34)

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