SCHEMBL27363394

SCHEMBL27363394

Cc1ccc(C2=N[C@H](C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.56
DNER Q8NFT8 2/20 0.55
ADORA3 P0DMS8 1/20 0.53
TSPO P30536 1/20 0.53
BRDT Q58F21 7/20 0.52
BRD2 P25440 6/20 0.52
BRD3 Q15059 6/20 0.52
CREBBP Q92793 2/20 0.51
HDAC3 O15379 1/20 0.51
JAK2 O60674 1/20 0.51
BRD1 O95696 1/20 0.51
CCL2 P13500 1/20 0.51
HDAC4 P56524 1/20 0.51
EP300 Q09472 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL15182017 1.00 BRD4 (0.56) BRD4DNERADORA3TSPOBRDT
SCHEMBL20687391 1.00 BRD4 (0.56) BRD4DNERADORA3TSPOBRDT
SCHEMBL23348676 0.99 BRD4 (0.55) BRD4DNERADORA3TSPOBRDT
SCHEMBL23801126 0.91 BRD4 (0.58) BRD4DNERADORA3TSPOBRDT
SCHEMBL23321132 0.91 BRD4 (0.54) BRD4DNERADORA3TSPOBRDT
SCHEMBL16976612 0.91 BRD4 (0.68) BRD4DNERADORA3TSPOBRDT
SCHEMBL23321303 0.91 BRD4 (0.54) BRD4DNERADORA3TSPOBRDT
SCHEMBL18463912 0.91 BRD4 (0.68) BRD4DNERADORA3TSPOBRDT
SCHEMBL19986290 0.91 BRD4 (0.68) BRD4DNERADORA3TSPOBRDT
SCHEMBL25514092 0.91 BRD4 (0.54) BRD4DNERADORA3TSPOBRDT

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