SCHEMBL27363792

SCHEMBL27363792

Cc1ccc(C2=NC(CC(C)(C)O)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.64
BRDT Q58F21 7/20 0.63
BRD2 P25440 5/20 0.61
BRD3 Q15059 4/20 0.61
CREBBP Q92793 2/20 0.61
DNER Q8NFT8 2/20 0.61
HDAC3 O15379 1/20 0.61
JAK2 O60674 1/20 0.61
BRD1 O95696 1/20 0.61
CCL2 P13500 1/20 0.61
HDAC4 P56524 1/20 0.61
EP300 Q09472 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 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
SCHEMBL27363770 1.00 BRD4 (0.64) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL27262632 0.92 BRD4 (0.63) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL27363316 0.86 BRD4 (0.64) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL16841486 0.86 BRD4 (0.64) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL27363397 0.86 BRD4 (0.64) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL18591677 0.85 BRD4 (0.86) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL17059514 0.84 BRD4 (0.85) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL12228129 0.84 BRD4 (0.85) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL21320191 0.83 BRD4 (0.87) BRD4BRDTBRD2BRD3CREBBP
SCHEMBL15984904 0.83 BRD4 (0.87) BRD4BRDTBRD2BRD3CREBBP

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-2024054604-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed