SCHEMBL20074091

SCHEMBL20074091

CC(C)(C)n1cc(-c2[nH]c3ncnn3c(=O)c2Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.39
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL20074102 0.85 KDM5B (0.46) KDM5BKDM5AKDM5CKDM4CBRD4
SCHEMBL20074099 0.83 KDM5B (0.50) KDM5BKDM5AKDM5CKDM4CTSHR
SCHEMBL20074093 0.81 KDM5B (0.37) KDM5BKDM5AKDM5CKDM4CBRD4
SCHEMBL20074270 0.81 KDM5B (0.51) KDM5BKDM5AKDM5CKDM4C
SCHEMBL20074321 0.75 KDM5B (0.38) KDM5BKDM5AKDM5CKDM4CBRD4
SCHEMBL27328352 0.75 TDP1 (0.41) TSHR
SCHEMBL20074143 0.74 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4CTSHR
SCHEMBL21720979 0.73 KDM5B (0.55) KDM5BKDM5AKDM5CKDM4CTSHR
SCHEMBL20074104 0.72 KDM5B (0.45) KDM5BKDM5ABRD4TSHR
SCHEMBL20074306 0.71 KDM5B (0.55) KDM5BKDM5AKDM5CKDM4CTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525785-B1 KDM5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-08-27 EP claimed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed