SCHEMBL30522566

SCHEMBL30522566

Cc1cc(-c2ccc(N)nc2)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ UHRF1 Q96T88 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MINK1 Q8N4C8 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ TDO2 P48775 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MTOR P42345 2/20 0.40

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
SCHEMBL16681203 0.89 NOS3 (0.52) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL30522572 0.81 UHRF1 (0.45) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL17805365 0.81 NOS3 (0.47) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL11254473 0.81 UHRF1 (0.45) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL17805344 0.79 GAA (0.48) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL11373076 0.78 CYP3A4 (0.50) ABL1PIK3CDUHRF1KDM4EALDH1A1
SCHEMBL3813235 0.78 NOS3 (0.52) NOS3NOS2NOS1ABL1MAP4K4
SCHEMBL4504756 0.77 ABL1 (0.68) ABL1TDO2FEN1EIF2AK3
SCHEMBL11065380 0.77 PIK3CD (0.57) NOS3NOS2MAP4K4PIK3CDMKNK1
SCHEMBL4495649 0.76 MAP4K4 (0.54) NOS3NOS2ABL1MAP4K4PIK3CD

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-116568676-A IL-17A modulators 赛诺菲 2023-08-08 — — CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 — — CN disclosed
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