SCHEMBL30839640

SCHEMBL30839640

CN(C)C1CCN(c2ccc(-c3ccc4ncn5c(c(C6CCOCC6)c(=O)n5C)c4c3)cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 5/20 0.41
▸ ATR Q13535 4/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ MTOR P42345 2/20 0.41
▸ SYK P43405 2/20 0.39
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ MELK Q14680 7/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL30012532 1.00 ATM (0.41) ATMATRPIK3CAMTORSYK
SCHEMBL30011461 0.92 ATM (0.42) ATMATRPIK3CAMTORSYK
SCHEMBL30011050 0.90 MTOR (0.41) ATMATRPIK3CAMTORSYK
SCHEMBL29217613 0.84 ATM (0.45) ATMATRPIK3CAMTORJAK1
SCHEMBL30011984 0.84 ATM (0.45) ATMATRPIK3CAMTORJAK1
SCHEMBL30012169 0.81 MTOR (0.41) ATMATRPIK3CAMTORSYK
SCHEMBL30012789 0.80 MTOR (0.40) PIK3CAMTORSYKMELKMAPK14
SCHEMBL29217588 0.77 ATM (0.48) ATMATRPIK3CAMTORSYK
SCHEMBL30012314 0.77 ATM (0.48) ATMATRPIK3CAMTORSYK
SCHEMBL22891687 0.76 IRAK4 (0.37) ATMATRPIK3CAMTORIRAK4

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 2 patents. 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 claimed
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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