SCHEMBL8337977

SCHEMBL8337977

Cc1cccc(C2=CCNc3c(C(N)=O)cnn32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.50
CDC7 O00311 1/20 0.43
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK2 O43353 2/20 0.36
DHODH Q02127 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK14 Q16539 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
SCHEMBL10556727 0.90 TLR8 (0.40) TLR8NPC1RAB9AKMT2ADHODH
SCHEMBL8339312 0.86 CDC7 (0.43) CDC7JAK1JAK3JAK2TYK2
SCHEMBL8335601 0.86 RIPK2 (0.46) CDC7JAK1JAK3JAK2TYK2
SCHEMBL8337425 0.84 KDM4E (0.52) JAK2NPC1RAB9APARP1ALDH1A1
SCHEMBL9869104 0.82 MKNK1 (0.43) JAK1JAK3KMT2ADHODHMKNK1
SCHEMBL9870279 0.69 HTT (0.40) TLR8JAK1JAK3JAK2TYK2
SCHEMBL10554458 0.68 NR4A3 (0.40) NPC1RAB9AKMT2AKDM5AKDM4C
SCHEMBL9869743 0.67 KDM4E (0.50) JAK2NPC1RAB9APARP1ALDH1A1
SCHEMBL3427893 0.66 RIPK2 (0.68) TLR8NPC1RAB9AKMT2ARIPK2
SCHEMBL8331920 0.66 TLR8 (1.00) TLR8KDM5AKDM4CKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957918-A1 METHOD OF TREATING OR INHIBITING NEUTROPENIA American Cyanamid Company (US) 1999-11-24 EP disclosed
US-5932585-A Method of treating or inhibiting neutropenia AMERICAN CYANAMID COMPANY (US) 1999-08-03 US disclosed
WO-1998026781-A1 METHOD OF TREATING OR INHIBITING NEUTROPENIA AMERICAN CYANAMID COMPANY (US) 1998-06-25 WO disclosed
EP-0329940-B1 5-(substituted)amino)-8- (phenyl or substituted phenyl)-3H,6H-1,2,5,a,8 a-tetraazaacenaphthylen-3-ones AMERICAN CYANAMID CO (US) 1994-01-05 EP disclosed
US-4916137-A 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
EP-0329940-A1 5-(substituted)amino)-8- (phenyl or substituted phenyl)-3H,6H-1,2,5,a,8 a-tetraazaacenaphthylen-3-ones AMERICAN CYANAMID COMPANY (US) 1989-08-30 EP disclosed