SCHEMBL29848066

SCHEMBL29848066

CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.46
▸ CDK4 P11802 8/20 0.46
▸ CCND1 P24385 8/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ CCNB1 P14635 6/20 0.46
▸ CCNE1 P24864 5/20 0.46
▸ ACVR1 Q04771 3/20 0.44
▸ STAT6 P42226 1/20 0.43
▸ STK17A Q9UEE5 2/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42
▸ CCNA2 P20248 4/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ CCNA1 P78396 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40

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
SCHEMBL16514184 1.00 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16822983 0.94 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29848232 0.94 CDK2 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847847 0.92 SYK (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16515095 0.92 SYK (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847686 0.91 MYLK4 (0.43) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514101 0.91 MYLK4 (0.43) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL16514545 0.88 CDK4 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL29847455 0.88 CDK4 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL31679059 0.87 CDK2 (0.49) CDK2CDK4CCND1CDK1CCNB1

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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