SCHEMBL28516114

SCHEMBL28516114

COC(=O)c1ccc(F)c(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ USP8 P40818 1/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL29877508 0.82 MAPK1 (0.41) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL23554744 0.82 ALDH1A1 (0.43) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL2954148 0.82 LCK (0.43) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL29549606 0.82 ALDH1A1 (0.43) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL2968391 0.81 MAPT (0.42) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL29878249 0.80 NOTUM (0.42) MAPTMAPK1CYP1A2KDM4ECYP2C19
SCHEMBL28574774 0.79 KDM4E (0.41) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL23554745 0.79 MAPK1 (0.39) MAPTMAPK1HPGDGAACYP1A2
SCHEMBL17417363 0.79 PTGER4 (0.39) MAPTMAPK1GAACYP1A2RECQL
SCHEMBL23362438 0.78 MAPT (0.46) MAPTMAPK1GAACYP1A2KDM4E

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
CN-108003161-B Neurotrophic factor tyrosine kinase receptor inhibitors 正大天晴药业集团股份有限公司 2020-10-09 — — CN disclosed
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