SCHEMBL5686229

SCHEMBL5686229

COc1ccccc1ON(C(=O)c1cnc(Nc2ccc(N3CCN(C)C(C)C3)c(F)c2)nc1)c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
PAK1 Q13153 4/20 0.42
LCK P06239 2/20 0.42
KDR P35968 2/20 0.42
MAPK14 Q16539 2/20 0.42
SRC P12931 1/20 0.42
BRD4 O60885 4/20 0.41
JAK1 P23458 3/20 0.41
EGFR P00533 2/20 0.41
CSF1R P07333 1/20 0.41
AXL P30530 1/20 0.40
JAK3 P52333 1/20 0.40
BRDT Q58F21 1/20 0.40
KCNH2 Q12809 1/20 0.39
FLT3 P36888 1/20 0.39
BTK Q06187 1/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL5687458 0.90 JAK2 (0.53) JAK2SIK1SIK2SIK3PAK1
SCHEMBL5686238 0.82 PRKCQ (0.40) JAK2LCKKDRMAPK14SRC
SCHEMBL4499210 0.80 SIK1 (0.56) SIK1SIK2SIK3BRD4JAK1
SCHEMBL4491720 0.79 SIK1 (0.56) JAK2SIK1SIK2SIK3PAK1
SCHEMBL5686735 0.79 LCK (0.53) LCKKDRMAPK14SRCJAK3
SCHEMBL4557888 0.79 KDR (0.53) LCKKDRMAPK14SRCEGFR
SCHEMBL4560194 0.79 LCK (0.58) JAK2LCKKDRMAPK14SRC
SCHEMBL5689524 0.77 KDR (0.43) JAK2LCKKDRMAPK14SRC
SCHEMBL4565001 0.75 SYK (0.46) JAK2PAK1LCKKDRSRC
SCHEMBL5686618 0.75 LCK (0.48) JAK2LCKKDRMAPK14SRC

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