SCHEMBL6854150

SCHEMBL6854150

Cc1ccc2c(c1)c(=O)n(CC=Cc1ccccc1)c1nnc(N(C)C)n21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.42
PLK1 P53350 2/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ANXA2 P07355 2/20 0.35
S100A10 P60903 2/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35

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
SCHEMBL6854144 1.00 DHFR (0.42) DHFRPLK1MAPTKMT2AMAPK1
SCHEMBL6855987 0.91 PLK1 (0.36) DHFRPLK1MAPTKMT2ATP53
SCHEMBL7004470 0.91 PLK1 (0.36) DHFRPLK1MAPTKMT2ATP53
SCHEMBL6850200 0.90 KMT2A (0.37) DHFRPLK1MAPTKMT2AALDH1A1
SCHEMBL6855285 0.90 KMT2A (0.37) DHFRPLK1MAPTKMT2AALDH1A1
SCHEMBL6854004 0.89 DHFR (0.41) DHFRPLK1MAPTKMT2AMAPK1
SCHEMBL6856216 0.89 PLK1 (0.40) DHFRPLK1MAPTKMT2AMAPK1
SCHEMBL6856218 0.89 PLK1 (0.40) DHFRPLK1MAPTKMT2AMAPK1
SCHEMBL6854009 0.89 DHFR (0.41) DHFRPLK1MAPTKMT2AMAPK1
SCHEMBL6999029 0.85 KMT2A (0.34) DHFRPLK1MAPTKMT2AALDH1A1

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 7 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
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-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 disclosed
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 disclosed