SCHEMBL7952617

SCHEMBL7952617

CCC(C1CCCCC1)N1CCCC[C@H](NC(=O)[C@H](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC(C)=O)C1=O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.69
▸ ABL1 P00519 2/20 0.53

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
SCHEMBL7952620 0.81 SRC (1.00) SRCABL1
SCHEMBL29941439 0.81 SRC (1.00) SRC
SCHEMBL7950286 0.80 SRC (0.83) SRC
SCHEMBL7952637 0.74 SRC (0.52) SRC
SCHEMBL7949092 0.70 SRC (1.00) SRC
SCHEMBL7655755 0.68 SRC (0.80) SRCABL1
SCHEMBL7657264 0.68 SRC (0.80) SRCABL1
SCHEMBL7697173 0.68 PTPN1 (0.73) SRCABL1
SCHEMBL3746444 0.68 PTPN1 (0.65) SRCABL1
Paratoulene Phosphate SCHEMBL29941463 0.67 SRC (1.00) 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 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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