SCHEMBL31167149

SCHEMBL31167149

O=C(Nc1cnn2cccnc12)c1ccc(I)cc1N1CCC2(CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.52
▸ KIF18A Q8NI77 1/20 0.50

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
SCHEMBL31167161 0.85 EPHB3 (0.52) IRAK4KIF18A
SCHEMBL31167186 0.82 KIF18A (0.63) KIF18A
SCHEMBL30856579 0.76 KIF18A (0.49) KIF18A
SCHEMBL30748648 0.76 KIF18A (0.53) IRAK4KIF18A
SCHEMBL30856596 0.76 KIF18A (0.44) IRAK4KIF18A
SCHEMBL31167257 0.76 KIF18A (0.54) IRAK4KIF18A
SCHEMBL30856659 0.75 KIF18A (0.45) KIF18A
SCHEMBL31018593 0.74 KIF18A (0.40) KIF18A
SCHEMBL30785924 0.73 KIF18A (0.52) KIF18A
SCHEMBL31500367 0.73 KIF18A (0.47) 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-118978521-A Preparation method and application of fused ring compound 江苏普莱医药生物技术有限公司 2024-11-19 — — CN disclosed
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