SCHEMBL5686276

SCHEMBL5686276

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(C(=O)N5CCOCC5)cc4Cl)n3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.45
JAK3 P52333 5/20 0.45
LCK P06239 3/20 0.45
TNK2 Q07912 2/20 0.45
INSR P06213 1/20 0.44
AXL P30530 1/20 0.44
KDR P35968 3/20 0.43
LRRK2 Q5S007 4/20 0.43
SYK P43405 1/20 0.42
NTRK1 P04629 2/20 0.42
SRC P12931 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MET P08581 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
SCHEMBL5689566 0.96 TNK2 (0.46) BTKJAK3LCKTNK2INSR
SCHEMBL5686330 0.95 TNK2 (0.45) BTKJAK3LCKTNK2INSR
SCHEMBL4481283 0.94 BTK (0.42) BTKJAK3LCKTNK2INSR
SCHEMBL5688886 0.93 BTK (0.47) BTKJAK3LCKTNK2INSR
SCHEMBL4495140 0.93 JAK3 (0.46) BTKJAK3LCKTNK2KDR
SCHEMBL5686220 0.91 BTK (0.46) BTKJAK3LCKTNK2KDR
SCHEMBL4488342 0.89 NTRK1 (0.45) BTKJAK3LCKTNK2INSR
SCHEMBL5686268 0.89 LCK (0.45) BTKJAK3LCKTNK2INSR
SCHEMBL5686194 0.88 LCK (0.47) BTKJAK3LCKTNK2KDR
SCHEMBL4507483 0.88 TNK2 (0.43) BTKJAK3LCKTNK2INSR

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