SCHEMBL6617874

SCHEMBL6617874

CN(C)CCOc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(Cl)cccc2Cl)C3)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.85
MAPK14 Q16539 2/20 0.85
FGFR1 P11362 4/20 0.55
FGFR4 P22455 5/20 0.54
WEE1 P30291 6/20 0.52
SIK2 Q9H0K1 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
SRC P12931 3/20 0.46
RIPK2 O43353 2/20 0.46
ACVR1 Q04771 2/20 0.46
NOD2 Q9HC29 2/20 0.46
KDR P35968 2/20 0.46
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 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
SCHEMBL6619817 0.92 LCK (1.00) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL3971255 0.87 LCK (0.78) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6619659 0.87 LCK (0.91) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6619138 0.87 LCK (0.74) LCKMAPK14FGFR1FGFR4SIK2
SCHEMBL6622844 0.84 LCK (0.86) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6622549 0.84 LCK (0.69) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6620907 0.83 LCK (0.68) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6620988 0.83 LCK (0.84) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6622909 0.83 LCK (0.84) LCKMAPK14FGFR1FGFR4WEE1
SCHEMBL6622434 0.82 LCK (0.83) LCKMAPK14FGFR1FGFR4WEE1

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