SCHEMBL5689137

SCHEMBL5689137

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)cn2)ccc1OCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.53
LCK P06239 6/20 0.53
SRC P12931 5/20 0.53
MCHR1 Q99705 5/20 0.51
QPCT Q16769 2/20 0.51
MAPK14 Q16539 4/20 0.49
EGFR P00533 3/20 0.46
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
MET P08581 1/20 0.45
MAPT P10636 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL4496504 0.86 KDR (0.52) KDRLCKSRCMAPK14EGFR
SCHEMBL4501652 0.85 LCK (0.57) KDRLCKSRCMCHR1QPCT
SCHEMBL4504797 0.84 PAK1 (0.57) KDRLCKSRCMAPK14EGFR
SCHEMBL4504378 0.84 LCK (0.52) KDRLCKSRCMCHR1QPCT
SCHEMBL5686145 0.83 TNK2 (0.50) KDRLCKSRCMAPK14EGFR
SCHEMBL4497254 0.83 LCK (0.53) KDRLCKSRCQPCTMAPK14
SCHEMBL5686260 0.82 KDR (0.49) KDRLCKSRCMAPK14EGFR
SCHEMBL4508592 0.81 LCK (0.56) KDRLCKSRCMAPK14EGFR
SCHEMBL4496785 0.80 KDR (0.52) KDRLCKSRCMCHR1MAPK14
SCHEMBL4509912 0.80 LCK (0.55) KDRLCKSRCMAPK14EGFR

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