SCHEMBL15622142

SCHEMBL15622142

CN1C(=O)[C@@H](NC(=O)C(CCC(F)(F)F)C(C(N)=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 18/20 1.00
NOTCH3 Q9UM47 17/20 1.00
NOTCH2 Q04721 1/20 1.00
NOTCH4 Q99466 1/20 1.00
PSEN1 P49768 1/20 0.64
PSEN2 P49810 1/20 0.64
RBPJ Q06330 1/20 0.64
APH1B Q8WW43 1/20 0.64
NCSTN Q92542 1/20 0.64
APH1A Q96BI3 1/20 0.64
PSENEN Q9NZ42 1/20 0.64
CCKBR P32239 1/20 0.61

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
SCHEMBL15622117 1.00 NOTCH1 (1.00) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
SCHEMBL15622692 0.95 NOTCH1 (1.00) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
SCHEMBL15622141 0.94 NOTCH1 (0.89) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
SCHEMBL15622116 0.94 NOTCH1 (0.89) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
SCHEMBL15621981 0.94 NOTCH1 (0.89) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
SCHEMBL15622436 0.94 NOTCH1 (0.89) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
Osugacestat SCHEMBL12543868 0.91 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
Osugacestat SCHEMBL21577519 0.91 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
Osugacestat SCHEMBL29412689 0.91 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1
Osugacestat SCHEMBL17420836 0.91 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4PSEN1

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
EP-2897954-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS Bristol-Myers Squibb Company (US) 2015-07-29 EP disclosed
WO-2014047392-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed