SCHEMBL18376754

SCHEMBL18376754

CCNS(=O)(=O)c1ccc(-c2cccc3cnc(Nc4cccc(N5CCN(CC)CC5)c4)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 16/20 0.54
▸ JAK2 O60674 9/20 0.48
▸ JAK3 P52333 9/20 0.48
▸ FGFR2 P21802 2/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ FES P07332 1/20 0.47
▸ RET P07949 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ EPHB1 P54762 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TTK P33981 1/20 0.46
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL18376753 0.92 PTK2 (0.56) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL18376763 0.90 PTK2 (0.55) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL18376851 0.90 JAK2 (0.54) PTK2JAK2JAK3BRD4JAK1
SCHEMBL18376831 0.90 EGFR (0.56) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL18376782 0.88 JAK2 (0.49) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL18377065 0.84 PTK2 (0.55) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL29368482 0.84 PTK2 (0.55) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL18376739 0.84 JAK2 (0.54) PTK2JAK2JAK3BRD4JAK1
SCHEMBL29205091 0.84 PTK2 (0.55) PTK2JAK2JAK3FGFR2BRD4
SCHEMBL28687781 0.83 PTK2 (0.54) PTK2JAK2JAK3FGFR2BRD4

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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