SCHEMBL4024447

SCHEMBL4024447

CSc1ncc2cc(-c3cc(NC(=O)c4ccc(C)c(-c5cc6cnc(SC)nc6n(C)c5=O)c4)ccc3C)c(=O)n(C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
MAPK14 Q16539 9/20 0.51
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
KDR P35968 3/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRB P09619 2/20 0.40
WEE1 P30291 2/20 0.40
PDGFRA P16234 2/20 0.40
SRC P12931 2/20 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
SCHEMBL3536433 0.87 MAPK14 (0.50) SYKMAPK14KDRRAF1FGFR1
SCHEMBL3534444 0.86 MAPK14 (0.48) SYKMAPK14PSEN1PSEN2APH1B
SCHEMBL3531198 0.86 MAPK14 (0.51) SYKMAPK14FGFR1WEE1SRC
SCHEMBL3536822 0.86 MAPK14 (0.69) MAPK14KDRRAF1PDGFRAMAPK13
SCHEMBL3820449 0.83 MAPK14 (0.66) MAPK14KDRRAF1PDGFRAMAPK13
SCHEMBL3827651 0.83 MAPK14 (0.47) SYKMAPK14KDRRAF1FGFR1
SCHEMBL4024442 0.82 MAPK14 (0.48) SYKMAPK14RAF1FGFR1WEE1
SCHEMBL5063013 0.81 SYK (0.45) SYKMAPK14POLBTHRBKDR
SCHEMBL4420333 0.81 MAPK14 (0.46) SYKMAPK14RAF1BRAFMAPK13
SCHEMBL4552696 0.80 FLT3 (0.46) SYKMAPK14NPC1RAB9APDGFRB

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-2094698-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D]PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed