SCHEMBL31037918

SCHEMBL31037918

O=C(Nc1cccc2c1nc1n2CCC1)c1ccc(I)cc1N1CCC(=C(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 4/20 0.37
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL31037921 0.97 TP53 (0.36) KIF18ARAB9AALDH1A1DHODHUSP2
SCHEMBL30842137 0.87 KIF18A (0.50) KIF18A
SCHEMBL31546212 0.84 KIF18A (0.49) KIF18A
SCHEMBL31037924 0.84 KIF18A (0.39) KIF18A
SCHEMBL31037916 0.83 KIF18A (0.51) KIF18A
SCHEMBL31546227 0.83 KIF18A (0.49) KIF18A
SCHEMBL31037914 0.81 KIF18A (0.49) KIF18A
SCHEMBL31037919 0.79 KIF18A (0.36) KIF18AALDH1A1MAPT
SCHEMBL30842149 0.72 KIF18A (0.49) KIF18A
SCHEMBL30842127 0.71 KIF18A (0.49) 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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