SCHEMBL18376798

SCHEMBL18376798

CNS(=O)(=O)c1ccc(Nc2ncc3cccc(-c4ccc(CN5CCN(C)CC5)cc4)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.55
▸ JAK3 P52333 5/20 0.55
▸ PTK2 Q05397 5/20 0.55
▸ FGFR4 P22455 1/20 0.53
▸ FGFR1 P11362 1/20 0.51
▸ AXL P30530 11/20 0.50
▸ BRD4 O60885 1/20 0.49
▸ MERTK Q12866 2/20 0.48
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47

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
SCHEMBL18377076 0.86 JAK2 (0.65) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL18376805 0.85 MAPK10 (0.57) JAK2JAK3PTK2BRD4
SCHEMBL29371309 0.85 FGFR4 (0.59) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL18376598 0.85 FGFR4 (0.59) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL18376859 0.84 JAK2 (0.49) JAK2JAK3PTK2BRD4
SCHEMBL28698465 0.83 FGFR1 (0.50) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL18376806 0.83 JAK2 (0.51) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL29371298 0.83 JAK2 (0.51) JAK2JAK3PTK2FGFR4FGFR1
SCHEMBL18376853 0.82 JAK3 (0.58) JAK2JAK3PTK2AURKA
SCHEMBL18377030 0.81 JAK2 (0.58) JAK2JAK3PTK2FGFR1BRD4

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
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 — — WO disclosed
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