SCHEMBL17604542

SCHEMBL17604542

C#Cc1ccnc(-c2c[nH]c(Cc3cccc(Cl)c3Cl)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 7/20 0.39
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CD O00329 3/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CB P42338 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ PNMT P11086 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL16095813 0.90 PHF8 (0.39) PHF8KDM4CMAPK1PTPN11P2RX7
SCHEMBL17604574 0.81 PHF8 (0.37) PHF8KDM4CMAPK1PIK3CDPIK3CA
SCHEMBL16095079 0.81 ADORA2A (0.39) PHF8KDM4CKDM2AMAPK1
SCHEMBL17604563 0.79 KDM5B (0.41) PHF8KDM4CMEN1KMT2APIM1
SCHEMBL16095102 0.79 PHF8 (0.41) PHF8KDM4CTAAR1P2RX7
SCHEMBL27967633 0.78 IDO1 (0.42) MAPK1TAAR1PNMTMEN1KMT2A
SCHEMBL16095001 0.77 TAAR1 (0.44) KDM4CTAAR1MEN1KMT2A
SCHEMBL16095163 0.77 KDM4C (0.62) PHF8KDM4C
SCHEMBL17604567 0.76 PHF8 (0.42) PHF8KDM4CMAPK1PIK3CAPIK3CB
SCHEMBL27967666 0.76 PNMT (0.41) PIK3CDPIK3CAPIK3CBPIK3CGTAAR1

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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