SCHEMBL25511399

SCHEMBL25511399

COc1nc(-c2ncccc2C)nc(Nc2ccc(C)cc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.41
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 5/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL30151315 0.83 ABCB1 (0.46) ABCG2TRPV1MAPTHTTNPC1
SCHEMBL30151290 0.83 PIK3CA (0.39) ABCG2MAPTMAPK1NPC1AHR
SCHEMBL25511339 0.83 MAPT (0.56) ABCG2MAPTMAPK1HTTSMN1; SMN2
SCHEMBL25511342 0.82 LATS1 (0.52) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30969073 0.79 SQOR (0.41) TRPV1ADORA3HTTSQOR
SCHEMBL22042724 0.79 SQOR (0.41) TRPV1ADORA3HTTSQOR
SCHEMBL25511404 0.79 HIF1A (0.36) ABCG2MAPTLMNATP53KDM4E
SCHEMBL30151259 0.78 SMN1; SMN2 (0.43) MAPTHTTSQORNPC1RAB9A
SCHEMBL30151271 0.78 KDM1A (0.48) MAPTMAPK1HTTTP53
SCHEMBL30151232 0.78 PTGS2 (0.42) ABCG2TRPV1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504704-A Fluoropyrimidine compounds fluorine-containing pyrimidinone compound 优迈特株式会社 2025-02-25 CN disclosed
CN-115551840-B Fluoropyrimidine compounds fluorine-containing pyrimidinone compound 优迈特株式会社 2024-12-03 CN disclosed
CN-118251386-A Fluoropyrimidine compound, harmful fungus control agent, and process for producing fluoropyrimidine compound 优迈特株式会社 2024-06-25 CN disclosed
WO-2023085142-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS, HARMFUL FUNGI CONTROL AGENT, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRIMIDINE COMPOUNDS ユニマテック株式会社 2023-05-19 WO disclosed
CN-115551840-A Fluorine-containing pyrimidine compound and fluorine-containing pyrimidinone compound 优迈特株式会社 2022-12-30 CN disclosed