SCHEMBL23073155

SCHEMBL23073155

COc1cc(-c2cc(N)c3c(F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.43
TNIK Q9UKE5 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PDE4B Q07343 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36

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
SCHEMBL18152713 0.87 BRD4 (0.46) BRD4BRD9PKMPKLR
SCHEMBL23473027 0.85 BRD4 (0.46) BRD4GRIN1GRIN2BKMT2AKDM4E
SCHEMBL18152880 0.84 BRD4 (0.45) BRD4GRIN1GRIN2BKMT2AMAPT
SCHEMBL23073030 0.77 BRD4 (0.44) BRD4GRIN1GRIN2BP2RX7
SCHEMBL18164205 0.76 BRD4 (0.43) BRD4GRIN1GRIN2BKMT2AMAPT
SCHEMBL23073072 0.73 BRD4 (0.49) BRD4BRD9
SCHEMBL18164309 0.73 BRD4 (0.44) BRD4KMT2ABRD9PKMPKLR
SCHEMBL18538434 0.72 BRD4 (0.46) BRD4GRIN1GRIN2BBRD9
SCHEMBL18152720 0.72 BRD4 (0.47) BRD4
SCHEMBL18152634 0.71 BRD4 (0.54) BRD4CREBBP

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