SCHEMBL29684443

SCHEMBL29684443

Clc1nc(Cl)c2[nH]ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.39
▸ HTT P42858 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL24553744 0.79 HTT (0.44) NOS1HTTPTK2
SCHEMBL4830696 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL29863669 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4838398 0.79 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4106173 0.79 DPP4 (0.43) NOS1HTTPTK2
SCHEMBL29864632 0.75 NOS1 (0.34) NOS1HTTPTK2
SCHEMBL30774307 0.75 HTT (0.36) NOS1HTTPTK2
SCHEMBL22119097 0.75 HTT (0.36) NOS1HTTPTK2
SCHEMBL30097193 0.72 HTT (0.49) NOS1HTTDYRK1A
SCHEMBL25267720 0.71 CLK1 (0.38) NOS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 — — CN disclosed
CN-114656487-B Fused pyrimidine compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-11-14 — — CN disclosed
CN-114656487-A Condensed pyrimidine compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-24 — — CN disclosed
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