SCHEMBL28818121

SCHEMBL28818121

Cc1cccc2c1C(=O)N(c1ncccn1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.55
GRM4 Q14833 4/20 0.53
GRM1 Q13255 1/20 0.53
TYMS P04818 3/20 0.50
ADORA2A P29274 1/20 0.46

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
SCHEMBL11068195 0.84 KDM4E (0.60) DPP4GRM4GRM1TYMS
SCHEMBL18263916 0.80 GRM4 (0.55) DPP4GRM4TYMS
SCHEMBL28663483 0.78 POLB (0.59)
SCHEMBL29714525 0.78 POLB (0.59)
SCHEMBL16862998 0.75 HTT (0.67) DPP4TYMSADORA2A
SCHEMBL23752314 0.75 TYMS (0.55) DPP4GRM4GRM1TYMSADORA2A
SCHEMBL14029131 0.75 ADORA2A (0.79) DPP4GRM4GRM1TYMSADORA2A
SCHEMBL18121469 0.72 POLB (0.57)
SCHEMBL11018633 0.72 DPP4 (0.70) DPP4TYMSADORA2A
SCHEMBL11016604 0.71 DPP4 (0.71) DPP4TYMS

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-114890953-A Preparation method of 2-aminomethyl pyrimidine hydrochloride 济南宣正药业有限公司 2022-08-12 CN disclosed