SCHEMBL6622100

SCHEMBL6622100

CCN(CC)CCOc1ccc(CNc2ncc3c(n2)N(C)C(=O)N(c2c(Cl)cccc2Cl)C3)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.81
MAPK14 Q16539 2/20 0.81
WEE1 P30291 4/20 0.50
FGFR4 P22455 6/20 0.48
RIPK2 O43353 6/20 0.44
NOD2 Q9HC29 6/20 0.44
ACVR1 Q04771 5/20 0.44
SRC P12931 5/20 0.44
FGFR1 P11362 5/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
NTRK1 P04629 1/20 0.44
FYN P06241 1/20 0.44

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 0.89 LCK (1.00) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6619659 0.85 LCK (0.91) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6622200 0.84 FGFR4 (0.56) LCKMAPK14FGFR4FGFR1ABL1
SCHEMBL6618406 0.83 FGFR4 (0.60) LCKMAPK14FGFR4FGFR1ABL1
SCHEMBL6622844 0.82 LCK (0.86) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6617874 0.81 LCK (0.85) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6622909 0.81 LCK (0.84) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6620988 0.81 LCK (0.84) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6622434 0.80 LCK (0.83) LCKMAPK14WEE1FGFR4RIPK2
SCHEMBL6619078 0.80 LCK (0.79) LCKMAPK14WEE1FGFR4RIPK2

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 2 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
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