SCHEMBL7952620

SCHEMBL7952620

CC(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@H]1CCCCN(CCCC2CCCCC2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ ABL1 P00519 2/20 0.59

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
SCHEMBL29941439 0.85 SRC (1.00) SRC
SCHEMBL7950286 0.83 SRC (0.83) SRC
SCHEMBL7952617 0.81 SRC (0.69) SRCABL1
SCHEMBL7952687 0.78 SRC (0.64) SRC
SCHEMBL7952367 0.77 SRC (1.00) SRC
SCHEMBL7949092 0.74 SRC (1.00) SRC
SCHEMBL7952649 0.74 SRC (0.58) SRC
SCHEMBL8142470 0.72 SRC (0.67) SRC
Paratoulene Phosphate SCHEMBL29941463 0.72 SRC (1.00) SRC
SCHEMBL8812613 0.72 SRC (1.00) SRCABL1

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-2001068655-A2 CAPROLACTAM DERIVATIVES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
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