SCHEMBL30470217

SCHEMBL30470217

CC1CCC(c2cncc(Cl)c2)=NC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.38
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ CHRNA7 P36544 3/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ BACE1 P56817 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MDM2 Q00987 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ CDK8 P49336 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
SCHEMBL25322604 1.00 IDH1 (0.38) IDH1NOS3NOS1NOS2CHRNA7
SCHEMBL30551361 1.00 IDH1 (0.38) IDH1NOS3NOS1NOS2CHRNA7
SCHEMBL24233803 1.00 IDH1 (0.38) IDH1NOS3NOS1NOS2CHRNA7
SCHEMBL30551484 0.81 NOS3 (0.37) NOS3NOS1NOS2CHRNA7CHRNB2
SCHEMBL25323877 0.81 NOS3 (0.37) NOS3NOS1NOS2CHRNA7CHRNB2
SCHEMBL25323875 0.81 NOS3 (0.37) NOS3NOS1NOS2CHRNA7CHRNB2
SCHEMBL30551289 0.79 CYP1A1 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25324052 0.79 CYP1A1 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25324054 0.79 CYP1A1 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24366989 0.78 NOS3 (0.42) NOS3NOS1NOS2

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
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
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