SCHEMBL31727855

SCHEMBL31727855

N#Cc1c(F)cnc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ GAA P10253 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL1413327 0.76 KMT2A (0.36) KHKALDH1A1MAPK1TRPV4TDP1
SCHEMBL17841740 0.76 KHK (0.35) KHKALDH1A1MAPK1TRPV4TDP1
SCHEMBL2371837 0.74 HTT (0.33) KHKALDH1A1HTT
SCHEMBL26894608 0.73 KHK (0.37) KHKALDH1A1CSNK1A1CLK4MAPK1
SCHEMBL31727964 0.73 L3MBTL1 (0.39) ALDH1A1CLK4MAPK1ADORA2AADORA1
SCHEMBL31727772 0.73 L3MBTL1 (0.39) ALDH1A1CLK4MAPK1ADORA2AADORA1
Hydrochloric Acid SCHEMBL26697676 0.72 KHK (0.36) KHKALDH1A1CSNK1A1CLK4MAPK1
SCHEMBL32684007 0.72 KRAS (0.36) KHK
SCHEMBL31727969 0.69 HTT (0.31) HTT
SCHEMBL15204819 0.69 PIK3C3 (0.35) ALDH1A1GAAMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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