SCHEMBL6854036

SCHEMBL6854036

COC(=O)c1ccc(C(Br)(N(C)C)n2c(=O)c3ccccc3n3cnnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
SRC P12931 3/20 0.37
EGFR P00533 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
FGFR1 P11362 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23577364 0.61 GABRG2 (0.41) SRCPOLBLMNARAB9A
SCHEMBL18296102 0.61 NOTUM (0.54) SMN1; SMN2ALDH1A1HPGDMAPK1LMNA
SCHEMBL23576749 0.60 FGFR1 (0.42) ALDH1A1HPGDFGFR1MAPK1LMNA
SCHEMBL14488091 0.58 NOTUM (0.57) ALDH1A1POLBMAPK1LMNANPC1
SCHEMBL13157837 0.58 POLB (0.57) SRCEGFRALDH1A1HPGDFGFR1
SCHEMBL677961 0.58 CA1 (0.59) ALDH1A1POLBNPC1RAB9AMAPT
Methyl Alcohol SCHEMBL28045001 0.57 CA1 (0.76) ALDH1A1HPGDMAPK1NPC1RAB9A
Methyl Alcohol SCHEMBL28561085 0.57 CA1 (0.76) ALDH1A1HPGDMAPK1NPC1RAB9A
SCHEMBL23601679 0.57 NPC1 (0.51) SMN1; SMN2SRCEGFRALDH1A1NPC1
SCHEMBL364927 0.57 SRC (0.51) SMN1; SMN2SRCEGFRALDH1A1POLB

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