SCHEMBL1018733

SCHEMBL1018733

CC(C)(C)C(NC(=O)O)C1CCN(c2nc(Cl)ncc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.51
BCR P11274 14/20 0.51
ACACB O00763 4/20 0.35
HCRTR2 O43614 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL1018116 0.86 ABL1 (0.39) ABL1BCRHCRTR2CKS1BSKP1
SCHEMBL1018019 0.82 CNR1 (0.35) ABL1BCRHCRTR2CKS1BSKP1
SCHEMBL1021391 0.78 RAF1 (0.32) ABL1BCRCKS1BSKP1SKP2
SCHEMBL4304306 0.74 ABL1 (0.48) ABL1BCRCKS1BSKP1SKP2
SCHEMBL4304308 0.73 ABL1 (0.52) ABL1BCRACACBHCRTR2
SCHEMBL1018735 0.72 ABL1 (0.46) ABL1BCRHCRTR2
SCHEMBL13649032 0.72 ABL1 (0.56) ABL1BCR
SCHEMBL16701397 0.72 ABL1 (0.59) ABL1BCR
SCHEMBL1939014 0.72 ABL1 (0.53) ABL1BCR
SCHEMBL12082925 0.71 CKS1B (0.54) ABL1BCRACACBCKS1BSKP1

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