SCHEMBL30839660

SCHEMBL30839660

CN(C)C1CCN(c2ccc(-c3nc4ccccc4c4c(C5CCOCC5)c(=O)n(C)n34)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.38
▸ CSF1R P07333 5/20 0.38
▸ CDK4 P11802 5/20 0.38
▸ CDK6 Q00534 5/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ CHEK2 O96017 3/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35

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
SCHEMBL30011461 0.78 ATM (0.42) PIK3CDCSF1RCDK4CDK6SYK
SCHEMBL30839669 0.76 TLR9 (0.37) CSF1RCDK4CDK6SYKCHEK2
SCHEMBL30839670 0.75 ATM (0.39) PIK3CDATMPIK3CAMTOR
SCHEMBL30012532 0.70 ATM (0.41) SYKATMPIK3CAMTOR
SCHEMBL30839640 0.70 ATM (0.41) SYKATMPIK3CAMTOR
SCHEMBL30011050 0.70 MTOR (0.41) PIK3CDCSF1RCDK4CDK6SYK
SCHEMBL23093828 0.66 PRKDC (0.59) PIK3CDCSF1RCDK4CDK6ATM
SCHEMBL21541787 0.64 PRKDC (0.61) ATMMTOR
SCHEMBL30012314 0.64 ATM (0.48) PIK3CDCSF1RCDK4CDK6KDM1A
SCHEMBL29217588 0.64 ATM (0.48) PIK3CDCSF1RCDK4CDK6KDM1A

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-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
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