SCHEMBL4563194

SCHEMBL4563194

COC(=O)c1ccc(NC(=O)OC(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HCAR3 P49019 4/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
BCL2 P10415 1/20 0.44
DEGS1 O15121 2/20 0.42
ROCK2 O75116 1/20 0.41
GCK P35557 2/20 0.41

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
SCHEMBL21241297 0.80 RAB9A (0.62) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL1854705 0.80 MAPK1 (0.59) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2772417 0.79 MAPK1 (0.51) MAPK1KDM4EL3MBTL1ALDH1A1HCAR3
SCHEMBL11841419 0.79 PTK2 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL11840192 0.79 RAB9A (0.52) MAPK1KDM4ELMNANPC1RAB9A
SCHEMBL19116339 0.78 SMN1; SMN2 (0.51) MAPK1KDM4EL3MBTL1HCAR3NPC1
SCHEMBL64145 0.78 MAPK1 (0.47) MAPK1KDM4EL3MBTL1ALDH1A1HCAR3
SCHEMBL16054859 0.77 ALDH1A1 (0.56) MAPK1KDM4EL3MBTL1ALDH1A1HCAR3
SCHEMBL17906363 0.76 TDP1 (0.50) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL6984008 0.76 HCAR3 (0.68) MAPK1KDM4EL3MBTL1ALDH1A1HCAR3

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed