SCHEMBL6617528

SCHEMBL6617528

CN1C(=O)N(c2cccc(Br)c2)Cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 9/20 0.44
CACNA2D1 P54289 1/20 0.39
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 2/20 0.34
FGFR1 P11362 2/20 0.34
FGFR3 P22607 2/20 0.34
KDR P35968 2/20 0.34
TNK2 Q07912 2/20 0.34
MAP4K2 Q12851 2/20 0.34
ABL1 P00519 1/20 0.34
FES P07332 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL6620595 0.87 FGFR4 (0.51) FGFR4FGFR1FGFR3KDRTNK2
SCHEMBL30837054 0.87 FGFR4 (0.51) FGFR4FGFR1FGFR3KDRTNK2
SCHEMBL15413275 0.81 FGFR4 (0.68) FGFR4FGFR1FGFR3KDRBMX
SCHEMBL6070019 0.81 FGFR4 (0.40) FGFR4ALDH1A1TP53MAPTLCK
SCHEMBL6619527 0.80 FGFR4 (0.40) FGFR4LCKFGFR1FGFR3KDR
SCHEMBL6069933 0.79 FGFR4 (0.37) FGFR4LCKFGFR1FGFR3KDR
SCHEMBL6622591 0.79 FGFR4 (0.40) FGFR4LCKFGFR1FGFR3KDR
SCHEMBL5231241 0.79 FGFR4 (0.52) FGFR4USP2TP53MAPTLCK
SCHEMBL6622724 0.77 TNK2 (0.43) FGFR4LCKFGFR1FGFR3KDR
SCHEMBL6623008 0.76 FGFR4 (0.43) FGFR4ALDH1A1TP53MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123295-B1 BICYCLIC NITROGEN HETEROCYCLES HOFFMANN LA ROCHE (CH) 2004-09-29 EP disclosed
EP-1123295-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed