SCHEMBL31037919

SCHEMBL31037919

O=C(Nc1cccc2c1nc1n2[C@H]2CC[C@@H]1C2)c1ccc(I)cc1N1CCC(=C(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 10/20 0.36
▸ MAPT P10636 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL30842129 0.88 KIF18A (0.48) KIF18A
SCHEMBL31037907 0.85 KIF18A (0.49) KIF18A
SCHEMBL31037905 0.85 KIF18A (0.49) KIF18A
SCHEMBL31037917 0.83 BACE1 (0.36) KIF18AMAPTGSK3AALDH1A1SMN1; SMN2
SCHEMBL31037925 0.83 BACE1 (0.36) KIF18AMAPTGSK3AALDH1A1SMN1; SMN2
SCHEMBL31037918 0.79 KIF18A (0.37) KIF18AMAPTALDH1A1
SCHEMBL31037921 0.78 TP53 (0.36) KIF18AMAPTALDH1A1SMN1; SMN2
SCHEMBL31037924 0.77 KIF18A (0.39) KIF18AGSK3A
SCHEMBL31546241 0.76 KIF18A (0.43) KIF18A
SCHEMBL30842134 0.73 KIF18A (0.61) 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
CN-118666851-A Condensed ring KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-09-20 — — CN disclosed
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