SCHEMBL5686180

SCHEMBL5686180

Cc1cccc(C)c1-c1nc(Nc2ccc(OCCCN3CCOCC3)c(F)c2)ncc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.55
BTK Q06187 5/20 0.55
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
EGFR P00533 1/20 0.48
ITK Q08881 1/20 0.48
SYK P43405 2/20 0.47
INSR P06213 1/20 0.47
AXL P30530 1/20 0.47
TNK2 Q07912 1/20 0.46
LCK P06239 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 2/20 0.46
STAT6 P42226 2/20 0.46
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
EPHX2 P34913 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL4496506 0.92 SRC (0.53) JAK3BTKJAK1TNK2LCK
SCHEMBL4496398 0.92 TNK2 (0.54) JAK3BTKJAK2JAK1INSR
SCHEMBL5686150 0.91 LCK (0.49) JAK3BTKJAK2JAK1EGFR
SCHEMBL5689081 0.87 CSF1R (0.50) JAK3BTKSYKAXLTNK2
SCHEMBL5686341 0.86 LCK (0.48) JAK3BTKJAK1SYKINSR
SCHEMBL4482145 0.84 EGFR (0.49) JAK3JAK1EGFRITK
SCHEMBL4494947 0.82 INSR (0.54) JAK3BTKEGFRITKINSR
SCHEMBL5689293 0.81 CSF1R (0.55) JAK3BTKEGFRAXLLCK
SCHEMBL30962957 0.80 JAK3 (0.53) JAK3BTKJAK2JAK1EGFR
SCHEMBL4490235 0.79 JAK3 (0.62) JAK3BTKEGFRITKSYK

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