SCHEMBL30648714

SCHEMBL30648714

CN1CCN(c2cccc(Nc3ncc4c(n3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ CDK2 P24941 6/20 0.51
▸ CCNA2 P20248 4/20 0.51
▸ AURKA O14965 2/20 0.51
▸ CCNA1 P78396 2/20 0.51
▸ PTK2 Q05397 4/20 0.48
▸ CDK9 P50750 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ JAK2 O60674 6/20 0.47
▸ BRD4 O60885 3/20 0.47
▸ JAK3 P52333 4/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ CCNK O75909 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ EGFR P00533 2/20 0.45

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
SCHEMBL26640628 1.00 MAPT (0.56) MAPTCDK2CCNA2AURKACCNA1
SCHEMBL26640167 0.89 MAPT (0.64) MAPTCDK2CCNA2AURKACCNA1
SCHEMBL26641017 0.86 MAPT (0.56) MAPTCDK2EGFR
SCHEMBL26640702 0.86 MAPT (0.53) MAPTCDK2CCNA2AURKACCNA1
SCHEMBL30648637 0.86 MAPT (0.53) MAPTCDK2CCNA2AURKACCNA1
SCHEMBL26640403 0.85 MAPT (0.58) MAPTCDK2CCNA2PTK2JAK2
SCHEMBL30648732 0.85 MAPT (0.58) MAPTCDK2CCNA2PTK2JAK2
SCHEMBL26640202 0.85 MAPT (0.62) MAPTCDK2PTK2JAK2JAK3
SCHEMBL26640456 0.84 MAPT (0.64) MAPTCDK2PTK2JAK2JAK3
SCHEMBL30648697 0.84 MAPT (0.55) MAPTCDK2CCNA2AURKACCNA1

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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