SCHEMBL7087741

SCHEMBL7087741

Cc1ccc(Sc2nc(Nc3ccc(F)cc3)n[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNH3 Q9ULD8 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37
DHODH Q02127 1/20 0.36
CDC7 O00311 2/20 0.36
CDK4 P11802 3/20 0.36
TXN P10599 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
SCHEMBL7083924 0.90 MAPT (0.44) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL7085921 0.85 CDC7 (0.38) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL6985036 0.85 PDE4B (0.43) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL5384649 0.81 CDK2 (0.40) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL7087411 0.80 NFKB1 (0.44) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL6975691 0.78 SYK (0.41) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL7090107 0.77 NPC1 (0.42) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL7084630 0.77 MEN1 (0.42) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL7083292 0.77 SMN1; SMN2 (0.43) CDK2MAPTRAB9ANPC1LMNA
SCHEMBL6980038 0.76 ALDH1A1 (0.45) MEN1MAPTRAB9AKMT2AKDM4E

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-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO disclosed