SCHEMBL4766694

SCHEMBL4766694

COc1cc(OC)cc(C(Cc2cnc(Nc3ccccc3)nc2Nc2ccccc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.50
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
EGFR P00533 8/20 0.45
JAK3 P52333 2/20 0.45
CHEK1 O14757 1/20 0.44
NTRK2 Q16620 1/20 0.44
AURKA O14965 2/20 0.44
JAK2 O60674 1/20 0.44
HDAC1 Q13547 1/20 0.44
BTK Q06187 6/20 0.43
ITK Q08881 2/20 0.43
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
FGFR4 P22455 1/20 0.42

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
SCHEMBL4765299 0.93 SYK (0.49) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4774864 0.91 CHEK1 (0.50) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4772107 0.86 MAPK8 (0.57) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4775386 0.86 AURKA (0.49) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL27617470 0.85 SYK (0.47) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4770594 0.84 MAPK9 (0.51) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4771624 0.84 CHEK1 (0.46) SYKMAPK8MAPK9EGFRCHEK1
SCHEMBL4764815 0.84 CHEK1 (0.49) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4773873 0.83 MAPK8 (0.51) SYKMAPK8MAPK9EGFRJAK3
SCHEMBL4769925 0.82 AURKA (0.48) SYKMAPK8MAPK9EGFRJAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed