SCHEMBL6855359

SCHEMBL6855359

Nc1ccc2c(c1)c(=O)n(CC=Cc1ccccc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
TP53 P04637 6/20 0.39
LMNA P02545 5/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6855354 1.00 DHFR (0.40) DHFRTP53LMNAMAPTPOLB
SCHEMBL7536159 0.95 TP53 (0.41) DHFRTP53LMNAMAPTPOLB
SCHEMBL7536162 0.95 TP53 (0.41) DHFRTP53LMNAMAPTPOLB
SCHEMBL6850045 0.90 DPP4 (0.33) DHFRTP53LMNAMAPTPOLB
SCHEMBL6850052 0.90 DPP4 (0.33) DHFRTP53LMNAMAPTPOLB
SCHEMBL6850099 0.89 MAPT (0.40) DHFRTP53LMNAMAPTPOLB
SCHEMBL6850067 0.89 PLK1 (0.39) TP53LMNAMAPTPOLBHTT
SCHEMBL6850102 0.89 MAPT (0.40) DHFRTP53LMNAMAPTPOLB
SCHEMBL6850070 0.89 PLK1 (0.39) TP53LMNAMAPTPOLBHTT
SCHEMBL6855927 0.89 LMNA (0.40) TP53LMNAMAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
EP-1199074-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of il-12 production WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1188438-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of Il-12 production WARNER-LAMBERT COMPANY (US) 2002-03-20 EP disclosed