SCHEMBL6620907

SCHEMBL6620907

CN1C(=O)N(c2c(Cl)cccc2Cl)Cc2cnc(Nc3ccc(F)cc3)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.68
MAPK14 Q16539 2/20 0.68
FGFR4 P22455 5/20 0.61
SIK2 Q9H0K1 1/20 0.50
ABL1 P00519 3/20 0.48
FGFR1 P11362 3/20 0.48
EGFR P00533 2/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
KIT P10721 1/20 0.48
SRC P12931 1/20 0.48
TNK2 Q07912 4/20 0.48
MAP4K2 Q12851 4/20 0.48
BCR P11274 1/20 0.47
BMX P51813 1/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
WEE1 P30291 5/20 0.46
FYN P06241 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL6622549 0.91 LCK (0.69) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL6619138 0.88 LCK (0.74) LCKMAPK14FGFR4SIK2FGFR1
SCHEMBL6620252 0.86 MAPK14 (0.66) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL6617874 0.83 LCK (0.85) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL3971255 0.82 LCK (0.78) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL3968454 0.82 LCK (0.61) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL23653236 0.82 FGFR4 (0.74) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL16072330 0.82 FGFR4 (0.71) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL3970897 0.82 MAPK14 (0.61) LCKMAPK14FGFR4SIK2ABL1
SCHEMBL3977639 0.82 FGFR4 (0.61) LCKMAPK14FGFR4SIK2ABL1

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