SCHEMBL7952670

SCHEMBL7952670

CC(=O)N([C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(N)=O)[C@H]1CCCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.64

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
SCHEMBL7954625 0.85 SRC (0.60) SRC
SCHEMBL7949094 0.83 SRC (0.60) SRC
SCHEMBL7952369 0.80 SRC (0.60) SRC
SCHEMBL7942710 0.79 SRC (0.61) SRC
SCHEMBL7952668 0.78 SRC (1.00) SRC
SCHEMBL7954611 0.77 SRC (1.00) SRC
SCHEMBL31060638 0.75 SRC (0.61) SRC
Paratoulene Phosphate SCHEMBL29941463 0.66 SRC (1.00) SRC
SCHEMBL7954616 0.65 SRC (0.81) SRC
SCHEMBL31060149 0.64 SRC (0.65) SRC

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