SCHEMBL1018735

SCHEMBL1018735

CC(C)(C)N(CC1CCN(c2nc(Cl)ncc2Br)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.46
BCR P11274 14/20 0.46
OPRK1 P41145 1/20 0.33
HCRTR2 O43614 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM4 P08173 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
SCHEMBL1018117 0.86 CNR2 (0.39) ABL1BCRHCRTR2SMN1; SMN2
SCHEMBL1018020 0.82 ROCK2 (0.37) HCRTR2
SCHEMBL4304308 0.80 ABL1 (0.52) ABL1BCROPRK1HCRTR2SMN1; SMN2
SCHEMBL17700131 0.79 ABL1 (0.52) ABL1BCR
SCHEMBL1021392 0.78 ENPP1 (0.33)
SCHEMBL4304306 0.77 ABL1 (0.48) ABL1BCR
SCHEMBL12082925 0.75 CKS1B (0.54) ABL1BCR
SCHEMBL27930644 0.74 ABL1 (0.46) ABL1BCROPRK1
SCHEMBL1018733 0.72 ABL1 (0.51) ABL1BCRHCRTR2
SCHEMBL16701397 0.72 ABL1 (0.59) ABL1BCRSMN1; SMN2

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