SCHEMBL25358905

SCHEMBL25358905

Cc1ccc2nc(-c3cccnc3)n(C)c(=O)c2c1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.49
▸ CYP11B1 P15538 3/20 0.49
▸ MAPT P10636 5/20 0.44
▸ ELANE P08246 1/20 0.43
▸ G6PD P11413 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KCNA3 P22001 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
SCHEMBL30426682 0.84 CYP11B2 (0.47) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL25230765 0.84 CYP11B2 (0.47) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL29364970 0.79 CYP11B2 (0.47) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL25206285 0.79 CYP11B2 (0.47) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL29052562 0.75 CYP11B2 (0.45) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL25206359 0.74 MAPT (0.47) CYP11B2CYP11B1MAPTELANEG6PD
SCHEMBL30663914 0.71 CYP11B2 (0.71) CYP11B2CYP11B1DPP4DPP8ATM
SCHEMBL8209154 0.71 CYP11B2 (0.71) CYP11B2CYP11B1DPP4DPP8ATM
SCHEMBL25362130 0.69 MAPT (0.43) CYP11B2CYP11B1MAPTG6PDPTGS2
SCHEMBL30784323 0.69 MAPT (0.43) CYP11B2CYP11B1MAPTG6PDPTGS2

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-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
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