SCHEMBL31018577

SCHEMBL31018577

O=C(Nc1ccc2cnn([C@@H]3CC3(F)F)c2n1)c1ccc(I)cc1N1CCC(=C(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 2/20 0.34
▸ KIF18A Q8NI77 18/20 0.33

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
SCHEMBL31018709 1.00 HTR1F (0.34) HTR1FKIF18A
SCHEMBL31018654 0.89 KIF18A (0.43) KIF18A
SCHEMBL31018629 0.89 KIF18A (0.43) KIF18A
SCHEMBL31018694 0.89 KIF18A (0.43) KIF18A
SCHEMBL31018665 0.84 KIF18A (0.34) HTR1FKIF18A
SCHEMBL31018635 0.83 KIF18A (0.54) KIF18A
SCHEMBL31018683 0.83 KIF18A (0.54) KIF18A
SCHEMBL31018646 0.81 KIF18A (0.36) HTR1FKIF18A
SCHEMBL31018630 0.81 HTR1F (0.33) HTR1FKIF18A
SCHEMBL31018532 0.80 KIF18A (0.44) KIF18A

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-2024125626-A1 NITROGENOUS COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-06-20 — — WO disclosed
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