SCHEMBL30856596

SCHEMBL30856596

O=C(Nc1ccn2ncc(C(F)(F)F)c2n1)c1ccc(I)cc1N1CCC2(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 18/20 0.44
▸ FLT3 P36888 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL30856579 0.85 KIF18A (0.49) KIF18A
SCHEMBL31500367 0.83 KIF18A (0.47) KIF18A
SCHEMBL30856628 0.83 KIF18A (0.63) KIF18A
SCHEMBL31500397 0.82 KIF18A (0.45) KIF18A
SCHEMBL31018526 0.77 KIF18A (0.42) KIF18A
SCHEMBL31018610 0.77 KIF18A (0.47) KIF18A
SCHEMBL31500403 0.77 KIF18A (0.47) KIF18A
SCHEMBL31018522 0.77 KIF18A (0.42) KIF18A
SCHEMBL31018654 0.76 KIF18A (0.43) KIF18A
SCHEMBL31018694 0.76 KIF18A (0.43) 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-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 — — CN disclosed
Send feedback