SCHEMBL5686194

SCHEMBL5686194

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(C(=O)N5CCN(CCC)CC5)cc4OC)n3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.47
TNK2 Q07912 3/20 0.47
BTK Q06187 3/20 0.47
JAK3 P52333 3/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SIK1 P57059 2/20 0.43
SIK2 Q9H0K1 2/20 0.43
SIK3 Q9Y2K2 2/20 0.43
KDR P35968 6/20 0.43
SRC P12931 4/20 0.43
LRRK2 Q5S007 1/20 0.43
MAPK14 Q16539 3/20 0.41
EGFR P00533 1/20 0.40
TEK Q02763 1/20 0.39
MET P08581 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL5689208 0.97 LCK (0.47) LCKTNK2BTKJAK3KMT2A
SCHEMBL5689066 0.96 LCK (0.44) LCKTNK2BTKJAK3KMT2A
SCHEMBL5688886 0.96 BTK (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL5689102 0.94 TNK2 (0.48) LCKTNK2BTKJAK3KMT2A
SCHEMBL4485769 0.93 LCK (0.45) LCKTNK2BTKJAK3KMT2A
SCHEMBL5689566 0.92 TNK2 (0.46) LCKTNK2BTKJAK3SIK1
SCHEMBL5689379 0.92 LCK (0.47) LCKTNK2BTKJAK3SIK1
SCHEMBL5686593 0.92 LCK (0.47) LCKTNK2BTKJAK3SIK1
SCHEMBL5686310 0.92 LCK (0.55) LCKTNK2BTKJAK3SIK1
SCHEMBL5686333 0.91 LCK (0.47) LCKTNK2BTKJAK3SIK1

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