SCHEMBL5556337

SCHEMBL5556337

CN1C(=O)NC(c2cccc(Cl)c2)c2cc(C(O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MDM2 Q00987 9/20 0.40
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.39
HSD17B2 P37059 2/20 0.38
TP53 P04637 5/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5555478 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL5562152 0.80 FNTA (0.52) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL5561611 0.79 HTT (0.46) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL5562507 0.76 BRD4 (0.40) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL5562497 0.74 MEN1 (0.42) MDM2BRD4HSD17B2TP53MAPT
SCHEMBL6348283 0.69 MEN1 (0.55) HTTTP53ALDH1A1TSHR
SCHEMBL4376572 0.68 MDM2 (0.39) MDM2HTTTP53FNTAFNTB
SCHEMBL6002784 0.66 ACP3 (0.44) MAPTTSHR
SCHEMBL5561754 0.66 HTT (0.44) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL10113390 0.65 KMT2A (0.73) HTTTP53ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977750-B1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA NV (BE) 2007-07-04 EP disclosed
US-6358961-B1 ADMINISTERING QUINAZOLINE DERIVATIVE FOR INHIBITING TUMOR GROWTH IN MAMMALS JANNSEN-CILAG S.A. (FR) 2002-03-19 US disclosed
US-6177432-B1 ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS JANSSEN-CILAG S.A. (FR) 2001-01-23 US disclosed
EP-0977750-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998049157-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-05 WO disclosed