SCHEMBL29847686

SCHEMBL29847686

CN(C)CCOc1ccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYLK4 Q86YV6 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ CDK4 P11802 7/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ ACVR1 Q04771 2/20 0.41
▸ CCND1 P24385 5/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CDK1 P06493 4/20 0.40
▸ CCNB1 P14635 4/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ ZAP70 P43403 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38

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
SCHEMBL16514101 1.00 MYLK4 (0.43) MYLK4CLK4STK17ATBK1CDK4
SCHEMBL16514253 0.94 MYLK4 (0.41) MYLK4CLK4STK17ATBK1CDK4
SCHEMBL29847075 0.94 MYLK4 (0.41) MYLK4CLK4STK17ATBK1CDK4
SCHEMBL29847797 0.91 BRAF (0.41) CDK4CDK6CSF1RCDK2ZAP70
SCHEMBL16514429 0.91 BRAF (0.41) CDK4CDK6CSF1RCDK2ZAP70
SCHEMBL29848066 0.91 CDK2 (0.46) MYLK4STK17ACDK4ACVR1CCND1
SCHEMBL16514184 0.91 CDK2 (0.46) MYLK4STK17ACDK4ACVR1CCND1
SCHEMBL16513501 0.89 CDK4 (0.40) MYLK4CLK4STK17ATBK1CDK4
SCHEMBL29847710 0.89 CDK4 (0.40) MYLK4CLK4STK17ATBK1CDK4
SCHEMBL16515263 0.88 MYLK4 (0.45) MYLK4CLK4STK17ATBK1CDK4

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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