SCHEMBL4765277

SCHEMBL4765277

COc1ccc(C(Cc2cnc(Nc3ccccc3)nc2NCC2CC2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.44
VCP P55072 3/20 0.44
MAPK9 P45984 3/20 0.42
MAPK10 P53779 1/20 0.42
CHEK1 O14757 1/20 0.41
NTRK2 Q16620 1/20 0.41
PRKCQ Q04759 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 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
SCHEMBL4770029 0.94 SYK (0.44) SYKVCPMAPK9MAPK10CHEK1
SCHEMBL4774864 0.88 CHEK1 (0.50) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4765275 0.86 CHEK1 (0.43) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4771624 0.81 CHEK1 (0.46) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4764815 0.81 CHEK1 (0.49) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4770076 0.81 MAPK9 (0.45) MAPK9MAPK10CHEK1NTRK2MAOA
SCHEMBL4767407 0.80 CHEK1 (0.43) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4766694 0.80 SYK (0.50) SYKMAPK9CHEK1NTRK2MAPK8
SCHEMBL4775312 0.78 GAA (0.43) SYKMAPK9MAPK10CHEK1NTRK2
SCHEMBL4775386 0.78 AURKA (0.49) SYKMAPK9NTRK2FLT3MAPK8

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