SCHEMBL30648779

SCHEMBL30648779

CN1CCC(c2ccc(Nc3ncc4c(n3)CN(C(=O)OC(C)(C)C)CC4)cc2CC#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ JAK2 O60674 8/20 0.43
▸ JAK3 P52333 7/20 0.43
▸ PTK2 Q05397 6/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ IGF1R P08069 1/20 0.41
▸ WEE1 P30291 1/20 0.40
▸ ULK1 O75385 2/20 0.39
▸ ULK2 Q8IYT8 2/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL26640352 1.00 MAPT (0.51) MAPTJAK2JAK3PTK2DDB1
SCHEMBL26640194 0.85 MAPT (0.56) MAPTJAK2JAK3PTK2DDB1
SCHEMBL26640413 0.85 MAPT (0.51) MAPTJAK2JAK3PTK2DDB1
SCHEMBL30648741 0.85 MAPT (0.51) MAPTJAK2JAK3PTK2DDB1
SCHEMBL30648669 0.85 MAPT (0.55) MAPTJAK2JAK3PTK2DDB1
SCHEMBL26640747 0.85 MAPT (0.55) MAPTJAK2JAK3PTK2DDB1
SCHEMBL26640652 0.83 MAPT (0.62) MAPTJAK2JAK3PTK2DDB1
SCHEMBL26640811 0.83 MAPT (0.62) MAPTJAK2JAK3PTK2DDB1
SCHEMBL30648653 0.82 WEE1 (0.38) MAPTJAK2WEE1
SCHEMBL26640202 0.80 MAPT (0.62) MAPTJAK2JAK3PTK2DDB1

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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