SCHEMBL30648787

SCHEMBL30648787

O=C1OCCN1Cc1ccc(Nc2ncc3c(n2)CNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.42
MAPT P10636 6/20 0.42
GRM5 P41594 1/20 0.42
TP53 P04637 3/20 0.41
IGF1R P08069 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
WEE1 P30291 3/20 0.39
LMNA P02545 1/20 0.38
GRM2 Q14416 1/20 0.37
CSF1R P07333 2/20 0.37
CDK4 P11802 2/20 0.37
CDK6 Q00534 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL26640963 1.00 STAT6 (0.42) STAT6MAPTGRM5TP53IGF1R
SCHEMBL26640962 0.82 AURKA (0.50) STAT6MAPTGRM5TP53IGF1R
SCHEMBL26640771 0.81 GRM5 (0.50) MAPTGRM5TP53CDK5CDK5R1
SCHEMBL26640349 0.79 AXL (0.51) MAPTGRM5TP53IGF1RCDK5
SCHEMBL26640878 0.79 GRM5 (0.47) STAT6MAPTGRM5TP53CDK5
SCHEMBL27054171 0.77 CDK5 (0.49) MAPTGRM5TP53CDK5CDK5R1
SCHEMBL26640426 0.76 CDK5 (0.46) MAPTGRM5TP53IGF1RCDK5
SCHEMBL30648661 0.76 CDK5 (0.46) MAPTGRM5TP53IGF1RCDK5
SCHEMBL26640788 0.76 GRM5 (0.45) MAPTGRM5TP53CDK5CDK5R1
SCHEMBL30648703 0.76 CDK5 (0.48) STAT6GRM5CDK5CDK5R1CCNA2

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