SCHEMBL30648780

SCHEMBL30648780

CC(C)(C)OC(=O)N1CCc2cnc(Nc3cccc(CS(C)(=O)=O)c3)nc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ MAPK1 P28482 5/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ KDR P35968 4/20 0.43
▸ PKMYT1 Q99640 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ MET P08581 1/20 0.41

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
SCHEMBL26640288 1.00 MAPT (0.55) MAPTCDK5CDK5R1MAPK1GPR119
SCHEMBL26640906 0.91 MAPT (0.62) MAPTMAPK1GPR119KDRPDGFRB
SCHEMBL26640680 0.88 MAPT (0.55) MAPTCDK5CDK5R1MAPK1KDR
SCHEMBL30648697 0.88 MAPT (0.55) MAPTCDK5CDK5R1MAPK1KDR
SCHEMBL26640195 0.88 MAPT (0.56) MAPTCDK5CDK5R1MAPK1GPR119
SCHEMBL30648720 0.88 MAPT (0.56) MAPTCDK5CDK5R1MAPK1GPR119
SCHEMBL26640978 0.88 CDK2 (0.53) MAPTCDK5CDK5R1MAPK1KDR
SCHEMBL30648854 0.88 CDK2 (0.53) MAPTCDK5CDK5R1MAPK1KDR
SCHEMBL26640350 0.87 MAPT (0.54) MAPTMAPK1GPR119KDRPDGFRB
SCHEMBL30648637 0.87 MAPT (0.53) MAPTCDK5CDK5R1MAPK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 — — EP disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 — — WO disclosed
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