SCHEMBL16094913

SCHEMBL16094913

C#Cc1ccc(-c2[nH]c(C)nc2-c2cc(C#N)ccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ KDM4C Q9H3R0 2/20 0.36
▸ MAPK13 O15264 3/20 0.36
▸ MAPK12 P53778 3/20 0.36
▸ MAPK11 Q15759 3/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ TGFBR1 P36897 5/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33

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
SCHEMBL17604614 0.87 MAPK14 (0.46) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL16095288 0.85 KMT2A (0.43) MAPK14KDM4EHPGDGSK3BMAPK13
SCHEMBL16095454 0.80 MAPK14 (0.41) MAPK14GSK3BKDM4CMAPK13MAPK12
SCHEMBL16095120 0.79 KDM4C (0.41) MAPK14GSK3BKDM4C
SCHEMBL17604545 0.76 NPY5R (0.37) KDM4CMETAP2METAP1
SCHEMBL16094945 0.73 KDM4C (0.51) MAPK14KDM4CMAPK13MAPK12MAPK11
SCHEMBL16095479 0.73 KDM4C (0.65) MAPK14KDM4C
SCHEMBL16033026 0.72 KDM4C (0.67) KDM4C
SCHEMBL16095224 0.68 MAPK14 (0.48) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL16095177 0.68 KDM4C (0.39) MAPK14HPGDGSK3BKDM4CMAPK13

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-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
Send feedback