SCHEMBL17604530

SCHEMBL17604530

Fc1ccc(Cc2[nH]cnc2-c2cc(-c3c[nH]nn3)ccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ KDM4C Q9H3R0 7/20 0.34
▸ PHF8 Q9UPP1 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ KDM6B O15054 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL17604615 0.75 NPY5R (0.44) MAPK14
SCHEMBL17686564 0.70 PHF8 (0.66) MAPK14KDM4CPHF8KDM5BNR3C2
SCHEMBL17604534 0.70 MAPK14 (0.46) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL16095046 0.69 KDM4C (0.60) KDM4CKDM5BKDM5A
SCHEMBL30574759 0.68 IDO1 (0.51) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL16095534 0.67 KDM4C (0.62) KDM4C
SCHEMBL16095141 0.67 KDM4C (0.61) KDM4CPHF8KDM5A
SCHEMBL19358820 0.67 KDM5A (0.36) KDM4CPHF8KDM5BKDM5A
SCHEMBL105252 0.66 RAB9A (0.40) GSK3BMAPTMAPK1
SCHEMBL30574683 0.64 CCR1 (0.34) KDM5BKDM5A

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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