SCHEMBL20978883

SCHEMBL20978883

N=C(/N=N\N)c1ccnc(C2=C(c3ccc(F)cc3OCC3CC3)N(Cc3cccc(Cl)c3)CN2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.48
▸ KDM2B Q8NHM5 3/20 0.48
▸ KDM5A P29375 2/20 0.39
▸ DHFR P00374 1/20 0.37
▸ PHF8 Q9UPP1 5/20 0.36
▸ PDE4D Q08499 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ F10 P00742 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL20978940 0.69 KDM4C (0.65) KDM4CKDM2BKDM5APHF8
SCHEMBL20978732 0.68 KDM4C (0.44) KDM4CKDM2BKDM5APHF8
SCHEMBL20978917 0.68 KDM4C (0.67) KDM4CKDM2BKDM5ADHFRPHF8
SCHEMBL16033390 0.65 KDM4C (1.00) KDM4CKDM2BKDM5APHF8
SCHEMBL20979024 0.63 KDM4C (0.45) KDM4CKDM2BKDM5APHF8
SCHEMBL1483164 0.59 DHFR (0.44) KDM4CKDM2BDHFR
SCHEMBL1577408 0.58 DHFR (0.41) KDM4CKDM2BDHFRSLC6A4
SCHEMBL20978851 0.57 KDM4C (0.73) KDM4CKDM2BKDM5APHF8
SCHEMBL16034821 0.56 KDM4C (1.00) KDM4CKDM2BKDM5APHF8
SCHEMBL1483024 0.56 DHFR (0.43) KDM4CKDM2BDHFRSLC6A4

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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