SCHEMBL17604574

SCHEMBL17604574

O=Cc1ccnc(-c2c[nH]c(Cc3cccc(Cl)c3Cl)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 5/20 0.37
▸ KDM4C Q9H3R0 1/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ PIK3CB P42338 4/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ PIK3CG P48736 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31

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
SCHEMBL17604570 0.91 MAPT (0.38) PHF8KDM4CMEN1KMT2AP2RX7
SCHEMBL17604542 0.81 PHF8 (0.39) PHF8KDM4CPIK3CAPIK3CBPIK3CD
SCHEMBL17604563 0.81 KDM5B (0.41) PHF8KDM4CMEN1KMT2A
SCHEMBL16095813 0.80 PHF8 (0.39) PHF8KDM4CP2RX7MAPK1PTPN11
SCHEMBL16095163 0.76 KDM4C (0.62) PHF8KDM4C
SCHEMBL27967666 0.75 PNMT (0.41) PIK3CAPIK3CBPIK3CDPIK3CGMEN1
SCHEMBL27967633 0.74 IDO1 (0.42) MEN1KMT2AP2RX7MAPK1PTPN11
SCHEMBL17604519 0.74 KRAS (0.41) PHF8KDM4CKMT2A
SCHEMBL2864165 0.73 MEN1 (0.38) PIK3CAPIK3CBPIK3CDPIK3CGMEN1
SCHEMBL31305429 0.73 MEN1 (0.38) PIK3CAPIK3CBPIK3CDPIK3CGMEN1

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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