SCHEMBL31589983

SCHEMBL31589983

CCCCC(=O)N1CCc2nc(NCCc3ccc(F)cc3)ncc2C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 17/20 0.57
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.45
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44

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
SCHEMBL31590429 0.92 ENPP2 (0.57) ENPP2HSP90AA1
SCHEMBL31590314 0.91 ENPP2 (0.56) ENPP2HSP90AA1
SCHEMBL31590106 0.89 ENPP2 (0.56) ENPP2HSP90AA1MAPK1
SCHEMBL31590169 0.89 ENPP2 (0.55) ENPP2HSP90AA1MAPK1
SCHEMBL31590350 0.86 ENPP2 (0.55) ENPP2HSP90AA1MAPK1
SCHEMBL31590281 0.85 ENPP2 (0.55) ENPP2HSP90AA1
SCHEMBL31590132 0.83 MAPT (0.58) ENPP2HSP90AA1MAPK1
SCHEMBL3531277 0.76 CYP1A2 (0.42) ENPP2HSP90AA1MAPK1
SCHEMBL16649458 0.74 MAPK1 (0.73) MAPK1
SCHEMBL15643420 0.73 ENPP2 (0.46) ENPP2HSP90AA1MAPK1

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-120040538-A Pyrimidine ring compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药用植物研究所 2025-05-27 CN disclosed