SCHEMBL30648638

SCHEMBL30648638

Cc1cc(Nc2ncc3c(n2)CN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.58
▸ MAPK1 P28482 8/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ CCNA2 P20248 2/20 0.41
▸ CCND3 P30281 2/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND2 P30279 1/20 0.40

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
SCHEMBL26640054 1.00 MAPT (0.58) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL26640866 0.87 MAPT (0.65) MAPTMAPK1CDK2PDGFRBDDB1
SCHEMBL26640694 0.85 MAPT (0.61) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL30648725 0.84 MAPT (0.47) MAPTMAPK1IGF1RESR2
SCHEMBL26640165 0.84 MAPT (0.47) MAPTMAPK1IGF1RESR2
SCHEMBL26640185 0.83 MAPT (0.56) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL26640202 0.83 MAPT (0.62) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL12497520 0.83 MAPK1 (0.61) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL26640500 0.82 MAPT (0.56) MAPTMAPK1CDK2PDGFRBIGF1R
SCHEMBL26640194 0.82 MAPT (0.56) MAPTMAPK1CDK2PDGFRBIGF1R

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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