SCHEMBL17604524

SCHEMBL17604524

COc1ccc(CC2(I)N=NN=C2c2ccnc(-c3nc(C)[nH]c3-c3ccc(F)cc3OCC3CC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 5/20 0.41
▸ KDM2B Q8NHM5 3/20 0.41
▸ KDM4C Q9H3R0 3/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ MAPK14 Q16539 8/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ GSK3B P49841 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ MAPK10 P53779 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
SCHEMBL17604533 0.91 PHF8 (0.42) PHF8KDM2BKDM4CKDM5AMAPK14
SCHEMBL17604551 0.84 PHF8 (0.59) PHF8KDM2BKDM4CKDM5ASYK
SCHEMBL17604559 0.75 PHF8 (0.60) PHF8KDM2BKDM4CKDM5A
SCHEMBL17604576 0.74 KDM4C (0.47) PHF8KDM2BKDM4CKDM5AMAPK14
SCHEMBL16095130 0.73 KDM4C (0.69) PHF8KDM2BKDM4CKDM5A
SCHEMBL17604535 0.72 KDM4C (0.46) PHF8KDM2BKDM4CKDM5AMAPK14
SCHEMBL16095596 0.71 KDM4C (0.65) PHF8KDM2BKDM4CKDM5AMAPK14
SCHEMBL17686559 0.64 KDM2B (0.63) PHF8KDM2BKDM4CKDM5ACCNT1
SCHEMBL17604517 0.64 KDM2B (0.65) PHF8KDM2BKDM4CKDM5ACCNT1
SCHEMBL17621656 0.63 KDM2B (0.64) PHF8KDM2BKDM4CKDM5ACCNT1

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-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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