SCHEMBL5686153

SCHEMBL5686153

CCCNC(=O)CCc1ccc(Oc2nc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.46
LCK P06239 4/20 0.46
KDR P35968 3/20 0.46
SRC P12931 2/20 0.46
MAPK14 Q16539 2/20 0.46
BTK Q06187 3/20 0.44
JAK3 P52333 2/20 0.44
MET P08581 10/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
AXL P30530 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
SCHEMBL5689342 0.95 LCK (0.46) TNK2LCKKDRSRCMAPK14
SCHEMBL4500908 0.93 TNK2 (0.50) TNK2LCKKDRSRCMAPK14
SCHEMBL4508549 0.92 TNK2 (0.49) TNK2LCKKDRSRCMAPK14
SCHEMBL4482401 0.92 TNK2 (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL5686510 0.91 TNK2 (0.46) TNK2LCKKDRSRCMAPK14
SCHEMBL4506418 0.91 LCK (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL4484504 0.91 TNK2 (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL4491495 0.91 LCK (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL4500225 0.91 TNK2 (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL4507695 0.91 TNK2 (0.50) TNK2LCKKDRSRCMAPK14

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