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SCHEMBL22172152

SCHEMBL22172152

CC(C)n1c(C(F)(F)F)nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ CDK4 P11802 3/20 0.31
▸ CCND1 P24385 3/20 0.31
▸ CCND3 P30281 3/20 0.31
▸ CDK6 Q00534 3/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL21522800 0.88 CDK4 (0.41) LPLLIPGCDK4CCND1CCND3
SCHEMBL2511865 0.84 CDK4 (0.36) LPLLIPGCDK4CCND1CCND3
SCHEMBL29403292 0.84 CDK4 (0.36) LPLLIPGCDK4CCND1CCND3
SCHEMBL20987201 0.81 LPL (0.31) LPLLIPGIRAK4
SCHEMBL21522812 0.81 CDK4 (0.40) LPLLIPGCDK4CCND1CCND3
SCHEMBL19836734 0.81 ROCK1 (0.32) LPLLIPGCDK4CCND1CCND3
SCHEMBL21522778 0.81 CDK4 (0.40) LPLLIPGCDK4CCND1CCND3
SCHEMBL21522780 0.81 CDK4 (0.40) LPLLIPGCDK4CCND1CCND3
SCHEMBL30926519 0.81 LPL (0.31) LPLLIPGIRAK4
SCHEMBL26454127 0.81 ROCK1 (0.32) LPLLIPGCDK4CCND1CCND3

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
WO-2020135507-A1 POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 杭州百新生物医药科技有限公司 2020-07-02 — — WO disclosed