SCHEMBL5686293

SCHEMBL5686293

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(CCC(=O)N5CCCC5)cc4OC)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.56
TNK2 Q07912 2/20 0.56
JAK3 P52333 2/20 0.56
BTK Q06187 1/20 0.56
SRC P12931 6/20 0.43
KDR P35968 2/20 0.43
MAPK14 Q16539 2/20 0.43
TTK P33981 2/20 0.42
FGFR1 P11362 2/20 0.42
TEK Q02763 1/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.40
LYN P07948 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4490570 0.94 LCK (0.57) LCKTNK2JAK3BTKSRC
SCHEMBL5686436 0.92 LCK (0.61) LCKTNK2JAK3BTKSRC
SCHEMBL4496565 0.91 LCK (0.55) LCKTNK2JAK3BTKSRC
SCHEMBL4492079 0.89 LCK (0.60) LCKTNK2JAK3BTKSRC
SCHEMBL5686443 0.89 LCK (0.54) LCKTNK2JAK3BTKSRC
SCHEMBL4488995 0.88 LCK (0.53) LCKTNK2JAK3BTKKDR
SCHEMBL4487653 0.88 LCK (0.59) LCKTNK2JAK3BTKSRC
SCHEMBL4506388 0.87 LCK (0.58) LCKTNK2JAK3BTKSRC
SCHEMBL5686252 0.87 LCK (0.58) LCKTNK2JAK3BTKSRC
SCHEMBL4493453 0.87 LCK (0.63) LCKTNK2JAK3BTKSRC

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-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed