SCHEMBL29847847

SCHEMBL29847847

CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.46
▸ CDK2 P24941 4/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CDK4 P11802 3/20 0.45
▸ CCNB1 P14635 3/20 0.45
▸ CCND1 P24385 3/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EGFR P00533 2/20 0.43
▸ ERBB3 P21860 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ STAT6 P42226 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LRRK2 Q5S007 5/20 0.42
▸ TTK P33981 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
SCHEMBL16515095 1.00 SYK (0.46) SYKCDK2CDK1CDK4CCNB1
SCHEMBL16823185 0.94 SYK (0.46) SYKCDK2CDK1CDK4CCNB1
SCHEMBL29847823 0.94 SYK (0.46) SYKCDK2CDK1CDK4CCNB1
SCHEMBL29847797 0.92 BRAF (0.41) SYKCDK2CDK4NPC1RAB9A
SCHEMBL16514429 0.92 BRAF (0.41) SYKCDK2CDK4NPC1RAB9A
SCHEMBL16514184 0.92 CDK2 (0.46) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL29848066 0.92 CDK2 (0.46) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL16515006 0.89 SYK (0.47) SYKCDK2CDK1CDK4CCNB1
SCHEMBL29848004 0.89 SYK (0.47) SYKCDK2CDK1CDK4CCNB1
SCHEMBL16513629 0.88 JUN (0.51) SYKCDK2CDK1CDK4CCNB1

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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