SCHEMBL29182237

SCHEMBL29182237

CC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 20/20 1.00
▸ CYP2D6 P10635 1/20 0.78
▸ CYP2B6 P20813 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78

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
SCHEMBL30040406 1.00 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25136138 1.00 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135870 0.90 CD38 (0.83) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135925 0.90 CD38 (0.83) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL30040647 0.90 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL30040534 0.88 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL30040515 0.88 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25489728 0.88 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135859 0.88 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25136022 0.88 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19

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-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 — — CN disclosed
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