SCHEMBL5877840

SCHEMBL5877840

COc1cc(-c2nc3cc(Cl)ccc3c(=O)n2CC2CCCC(CN)C2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ABCC1 P33527 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CXCR6 O00574 1/20 0.38
MAP3K11 Q16584 1/20 0.38
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP2D6 P10635 2/20 0.38
HTR2C P28335 1/20 0.38
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.37
GHSR Q92847 2/20 0.37
CYP3A4 P08684 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
SCHEMBL5876853 0.93 ABCC1 (0.44) EGFRABCC1LMNASMN1; SMN2MEN1
SCHEMBL5877433 0.91 ABCC1 (0.46) EGFRABCC1MEN1KMT2ATP53
SCHEMBL5878058 0.88 SMN1; SMN2 (0.58) ABCC1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5877608 0.88 EGFR (0.48) EGFRABCC1MEN1KMT2ACYP2D6
SCHEMBL5877717 0.86 EGFR (0.44) EGFRABCC1MEN1KMT2ACYP2D6
SCHEMBL5877323 0.86 SMN1; SMN2 (0.45) ABCC1LMNASMN1; SMN2MAP3K11PDE5A
SCHEMBL5877585 0.85 EGFR (0.52) EGFRABCC1SMN1; SMN2MEN1KMT2A
SCHEMBL5878215 0.85 EGFR (0.48) EGFRABCC1MEN1KMT2ACYP2D6
SCHEMBL5878076 0.85 EGFR (0.46) EGFRABCC1MEN1KMT2ACYP2D6
SCHEMBL5877465 0.85 LMNA (0.44) ABCC1LMNASMN1; SMN2MEN1KMT2A

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
US-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed