SCHEMBL18376762

SCHEMBL18376762

CCN1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(C(=O)NCCC#N)cc5)c4n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.51
▸ JAK3 P52333 5/20 0.51
▸ PTK2 Q05397 7/20 0.48
▸ FGFR2 P21802 3/20 0.47
▸ FGFR1 P11362 3/20 0.44
▸ KDR P35968 2/20 0.44
▸ EGFR P00533 1/20 0.43
▸ PRKD1 Q15139 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ FGFR4 P22455 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ FES P07332 1/20 0.41
▸ RET P07949 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL18376744 0.93 JAK2 (0.58) JAK2JAK3PTK2FGFR2FGFR1
SCHEMBL18376858 0.93 PTK2 (0.51) JAK2JAK3PTK2FGFR2EGFR
SCHEMBL18376839 0.91 EGFR (0.53) JAK2JAK3FGFR2EGFRBRD4
SCHEMBL18376856 0.90 JAK2 (0.51) JAK2JAK3PTK2FGFR2KDR
SCHEMBL18376849 0.90 JAK2 (0.61) JAK2JAK3FGFR2MAPK10JAK1
SCHEMBL18376783 0.86 JAK2 (0.58) JAK2JAK3PTK2FGFR2MAPK10
SCHEMBL18377034 0.86 JAK2 (0.60) JAK2JAK3FGFR2FGFR1KDR
SCHEMBL18376775 0.86 PTK2 (0.51) JAK2JAK3PTK2FGFR2FGFR1
SCHEMBL18376832 0.84 JAK2 (0.58) JAK2JAK3FGFR2EGFRBRD4
SCHEMBL18376857 0.84 EGFR (0.58) JAK2JAK3FGFR2EGFRBRD4

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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