SCHEMBL30197646

SCHEMBL30197646

COc1cc2c(NCCNc3cccc4ccccc34)nc(Cl)nc2cc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.70
KDM1A O60341 3/20 0.70
RCOR1 Q9UKL0 3/20 0.70
HTT P42858 3/20 0.53
APP P05067 2/20 0.52
MAPK1 P28482 2/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ELANE P08246 1/20 0.45
EGFR P00533 7/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
RAF1 P04049 1/20 0.44
EZH2 Q15910 1/20 0.43
PRMT1 Q99873 1/20 0.43

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
SCHEMBL18103418 1.00 EHMT2 (0.70) EHMT2KDM1ARCOR1HTTAPP
SCHEMBL18103392 0.83 EHMT2 (0.64) EHMT2KDM1ARCOR1EZH2KMT5A
SCHEMBL30197751 0.83 EHMT2 (0.64) EHMT2KDM1ARCOR1EZH2KMT5A
SCHEMBL20266987 0.79 APP (0.71) HTTAPPMAPK1PDE4APDE4B
SCHEMBL31620285 0.77 MAPK1 (0.62) EHMT2KDM1ARCOR1HTTAPP
SCHEMBL29384944 0.77 ELANE (0.55) EHMT2KDM1AHTTELANEEGFR
SCHEMBL1940198 0.77 ELANE (0.55) EHMT2KDM1AHTTELANEEGFR
SCHEMBL2063141 0.77 ELANE (0.55) EHMT2KDM1AHTTELANEEGFR
SCHEMBL3643238 0.77 EGFR (0.65) HTTAPPMAPK1PDE4APDE4B
SCHEMBL6766790 0.75 ABCB1 (0.56) KDM1AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277676-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2023-03-22 EP disclosed