SCHEMBL5686341

SCHEMBL5686341

Cc1cccc(C)c1-c1nc(Nc2ccc(OCCN3CCN(C(C)C)CC3)c(F)c2)ncc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.48
SRC P12931 3/20 0.48
KDR P35968 3/20 0.48
KCNH2 Q12809 2/20 0.46
TNK2 Q07912 3/20 0.46
BTK Q06187 2/20 0.46
MAPK14 Q16539 2/20 0.43
JAK3 P52333 2/20 0.43
CDK6 Q00534 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
AXL P30530 2/20 0.42
CSF1R P07333 3/20 0.42
INSR P06213 1/20 0.42
SYK P43405 3/20 0.41
MAP3K7 O43318 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL5686150 0.89 LCK (0.49) LCKSRCKDRTNK2BTK
SCHEMBL4496506 0.89 SRC (0.53) LCKSRCKDRTNK2BTK
SCHEMBL4496398 0.88 TNK2 (0.54) LCKSRCKDRTNK2BTK
SCHEMBL5686180 0.86 JAK3 (0.55) LCKSRCKDRTNK2BTK
SCHEMBL5689081 0.84 CSF1R (0.50) LCKSRCKDRKCNH2TNK2
SCHEMBL5689284 0.84 AXL (0.47) LCKSRCKDRTNK2BTK
SCHEMBL4505329 0.82 LCK (0.51) LCKSRCKDRTNK2BTK
SCHEMBL5686260 0.81 KDR (0.49) LCKSRCKDRTNK2BTK
SCHEMBL4482145 0.81 EGFR (0.49) KCNH2JAK3JAK1TYK2
SCHEMBL4495159 0.80 LCK (0.59) LCKSRCKDRTNK2BTK

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