SCHEMBL20978918

SCHEMBL20978918

O=C(O)c1ccnc(C2=CN(CCNCC3CC(F)(F)C3)CN2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 9/20 0.54
▸ KDM5A P29375 8/20 0.54
▸ KDM4C Q9H3R0 6/20 0.38
▸ KDM2B Q8NHM5 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ JMJD6 Q6NYC1 1/20 0.36
▸ KDM5C P41229 3/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34

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
SCHEMBL16033757 0.79 KDM5A (0.82) KDM5BKDM5AKDM4CKDM2BKDM4A
SCHEMBL20978802 0.77 KDM4C (0.41) KDM5BKDM5AKDM4CKDM2BKDM4E
SCHEMBL20979029 0.77 KDM4C (0.50) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL20978930 0.76 EPHX2 (0.41) KDM5BKDM5AKDM4CKDM2BKDM4E
SCHEMBL20978805 0.75 KDM5B (0.59) KDM5BKDM5AKDM4CKDM2BKDM4E
SCHEMBL20978848 0.74 KDM4C (0.52) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095432 0.74 KDM5B (0.50) KDM5BKDM5AKDM4CKDM2BKDM4E
SCHEMBL20978910 0.74 KDM5A (0.60) KDM5BKDM5AKDM4CKDM2BKDM4E
SCHEMBL20978783 0.73 KDM2B (0.64) KDM5BKDM5AKDM4CKDM2BJMJD6
SCHEMBL20978807 0.72 KDM5B (0.62) KDM5BKDM5AKDM4CKDM2BKDM4E

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-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
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