SCHEMBL30013402

SCHEMBL30013402

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(C(F)(F)F)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.38
DNER Q8NFT8 2/20 0.37
BRDT Q58F21 4/20 0.36
BRD2 P25440 3/20 0.36
BRD3 Q15059 3/20 0.36
CREBBP Q92793 2/20 0.36
HDAC3 O15379 1/20 0.36
JAK2 O60674 1/20 0.36
BRD1 O95696 1/20 0.36
CCL2 P13500 1/20 0.36
HDAC4 P56524 1/20 0.36
EP300 Q09472 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL19986334 0.83 BRD4 (0.40) BRD4DNERADORA3TSPO
SCHEMBL31498747 0.81 BRD4 (0.45) BRD4DNERADORA3TSPO
SCHEMBL18979672 0.80 BRD4 (0.46) BRD4DNERBRD2ADORA3TSPO
SCHEMBL17165522 0.80 BRD4 (0.46) BRD4DNERBRD2ADORA3TSPO
SCHEMBL31498729 0.78 BRD4 (0.45) BRD4DNERBRDTBRD2BRD3
SCHEMBL872054 0.77 BRD4 (0.58) BRD4DNERBRDTBRD2BRD3
SCHEMBL18551067 0.77 BRD4 (0.58) BRD4DNERBRDTBRD2BRD3
SCHEMBL17165553 0.75 BRD4 (0.43) BRD4DNERBRDTBRD2BRD3
SCHEMBL17165549 0.75 BRD4 (0.43) BRD4DNERBRDTBRD2BRD3
SCHEMBL23348743 0.75 CHRM1 (0.43) BRD4DNERADORA3TSPO

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-2022221786-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE BRD4 Plexium, Inc. (US) 2022-10-20 WO disclosed