SCHEMBL29848213

SCHEMBL29848213

CN(C)CCOc1ccc(F)c(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.41
▸ CDK4 P11802 6/20 0.40
▸ CCND1 P24385 5/20 0.40
▸ CDK1 P06493 4/20 0.40
▸ CCNB1 P14635 4/20 0.40
▸ CCNE1 P24864 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ WEE1 P30291 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MYLK4 Q86YV6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL16514406 1.00 PLK1 (0.41) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL29847710 0.94 CDK4 (0.40) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL16513501 0.94 CDK4 (0.40) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL16515305 0.91 MAPK10 (0.45) PLK1CDK4CCND1CSF1RSYK
SCHEMBL16514202 0.91 CDK4 (0.46) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL29847488 0.91 CDK4 (0.46) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL29847075 0.89 MYLK4 (0.41) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL16514253 0.89 MYLK4 (0.41) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL16514857 0.88 ACVR1 (0.42) PLK1CDK4CCND1PIK3CDCSF1R
SCHEMBL29848188 0.88 ACVR1 (0.42) PLK1CDK4CCND1PIK3CDCSF1R

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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