SCHEMBL31167161

SCHEMBL31167161

O=C(Nc1cnn2ccccc12)c1ccc(I)cc1N1CCC2(CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 6/20 0.52
▸ IRAK4 Q9NWZ3 4/20 0.46
▸ RIPK2 O43353 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KIF18A Q8NI77 8/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL31167149 0.85 IRAK4 (0.52) IRAK4KIF18A
SCHEMBL31167184 0.83 KIF18A (0.57) KIF18A
SCHEMBL31167155 0.82 EPHB3 (0.43) EPHB3IRAK4LMNAHTTKIF18A
SCHEMBL31167082 0.82 KIF18A (0.63) KIF18A
SCHEMBL31018593 0.75 KIF18A (0.40) KIF18A
SCHEMBL30842149 0.74 KIF18A (0.49) KIF18A
SCHEMBL30856579 0.74 KIF18A (0.49) KIF18A
SCHEMBL30600578 0.74 KIF18A (0.41) KIF18A
SCHEMBL30856596 0.73 KIF18A (0.44) IRAK4KIF18A
SCHEMBL30842137 0.73 KIF18A (0.50) 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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