SCHEMBL30609397

SCHEMBL30609397

CC(C)(O)C(F)(F)Oc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
WDR5 P61964 1/20 0.35
MAOB P27338 2/20 0.34
PPARG P37231 1/20 0.33
LDHA P00338 1/20 0.33
MAOA P21397 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL25875488 0.83 ALDH1A1 (0.38) PPARAPPARDMAPTMEN1KMT2A
SCHEMBL4323037 0.79 CYP2A6 (0.38) MAPTMEN1KMT2ANPSR1RAB9A
SCHEMBL77569 0.79 MEN1 (0.41) PPARAPPARDMAPTMEN1KMT2A
SCHEMBL1230294 0.79 CYP2A6 (0.38) MAPTMEN1KMT2ANPSR1RAB9A
SCHEMBL16546592 0.79 ALDH1A1 (0.40) PPARAPPARDMAPTMEN1KMT2A
SCHEMBL11716929 0.77 MAPT (0.37) MAPTMEN1KMT2ANPSR1RAB9A
SCHEMBL23149109 0.75 ALDH1A1 (0.38) PPARAPPARDMAPTMEN1KMT2A
SCHEMBL21791780 0.73 CA1 (0.38) MAPTALDH1A1KDM4ELDHACYP2A6
SCHEMBL1006518 0.73 ALDH1A1 (0.42) PPARAPPARDMAPTMEN1KMT2A
SCHEMBL9243983 0.73 ALDH1A1 (0.42) PPARAPPARDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546604-A Pyrido [3,2-D ] pyrimidines as HPK1 inhibitors 默克专利有限公司 2025-02-28 CN disclosed
EP-4507789-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-02-19 EP disclosed
WO-2023201185-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed