SCHEMBL23073080

SCHEMBL23073080

CCSNc1ncc(Oc2ccc(F)cc2F)c(-c2cc(C)c3nnc(C)n3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.47
MAPK14 Q16539 7/20 0.37
MAPK8 P45983 4/20 0.36
RPS6KA4 O75676 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1E P49674 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK11 Q15759 1/20 0.34
NLK Q9UBE8 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL23073028 0.91 BRD4 (0.47) BRD4MAPK14MAPK8RPS6KA4MAPK9
SCHEMBL19927971 0.86 BRD4 (0.64) BRD4MAPK14CREBBP
SCHEMBL18164465 0.84 BRD4 (0.62) BRD4MAPK14MAPK8MAPK9MAPK10
SCHEMBL20160232 0.81 BRD4 (0.39) BRD4BRD2BRD3
SCHEMBL19930757 0.79 BRD4 (0.58) BRD4MAPK14MAPK8CREBBP
SCHEMBL19931225 0.78 BRD4 (0.73) BRD4MAPK14MAPK8RPS6KA4MAPK9
SCHEMBL25043277 0.77 BRD4 (0.78) BRD4MAPK14MAPK8RPS6KA4MAPK9
SCHEMBL23073046 0.75
SCHEMBL20160005 0.74 BRD4 (0.39) BRD4BRD2BRD3
SCHEMBL19930720 0.73 BRD4 (0.68) BRD4MAPK14MAPK8CREBBP

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
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed