SCHEMBL19930934

SCHEMBL19930934

Cc1cc(-c2nc(N)ncc2Oc2ccc(F)cc2F)cn(CC2CCC2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.77
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
CREBBP Q92793 4/20 0.39
MAPK8 P45983 5/20 0.39

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
SCHEMBL16650020 0.87 BRD4 (1.00) BRD4CREBBPMAPK8
SCHEMBL19931348 0.86 BRD4 (0.79) BRD4CREBBPMAPK8
SCHEMBL25043277 0.85 BRD4 (0.78) BRD4CREBBPMAPK8
SCHEMBL16650113 0.85 BRD4 (1.00) BRD4CREBBPMAPK8
SCHEMBL16657976 0.85 BRD4 (0.77) BRD4CREBBPMAPK8
SCHEMBL16651193 0.84 BRD4 (0.74) BRD4CREBBPMAPK8
SCHEMBL16650744 0.84 BRD4 (0.94) BRD4CREBBPMAPK8
SCHEMBL19931267 0.83 BRD4 (0.74) BRD4CREBBPMAPK8
SCHEMBL16650946 0.81 BRD4 (0.94) BRD4CREBBPMAPK8
SCHEMBL19931225 0.81 BRD4 (0.73) BRD4CREBBPMAPK8

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-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed