SCHEMBL18376775

SCHEMBL18376775

CCN1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(C(=O)NC(C)(C)C)cc5)c4n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 9/20 0.51
▸ FGFR2 P21802 3/20 0.49
▸ JAK2 O60674 4/20 0.48
▸ BRD4 O60885 2/20 0.48
▸ FGFR1 P11362 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ EGFR P00533 2/20 0.45
▸ JAK3 P52333 4/20 0.44
▸ BTK Q06187 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ FES P07332 1/20 0.44
▸ RET P07949 1/20 0.44
▸ ROS1 P08922 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ JAK1 P23458 1/20 0.44

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
SCHEMBL18376748 0.90 EGFR (0.57) FGFR2JAK2BRD4EGFRJAK3
SCHEMBL18376605 0.89 MAPK10 (0.44) PTK2FGFR2JAK2BRD4JAK3
SCHEMBL18376845 0.89 HDAC3 (0.55) PTK2JAK2BRD4FGFR1EGFR
SCHEMBL18376744 0.88 JAK2 (0.58) PTK2FGFR2JAK2FGFR1KDR
SCHEMBL18376762 0.86 JAK2 (0.51) PTK2FGFR2JAK2BRD4FGFR1
SCHEMBL18376763 0.85 PTK2 (0.55) PTK2FGFR2JAK2BRD4JAK3
SCHEMBL29205091 0.85 PTK2 (0.55) PTK2FGFR2JAK2BRD4EGFR
SCHEMBL18377065 0.82 PTK2 (0.55) PTK2FGFR2JAK2BRD4FGFR1
SCHEMBL29368482 0.82 PTK2 (0.55) PTK2FGFR2JAK2BRD4FGFR1
SCHEMBL18376753 0.82 PTK2 (0.56) PTK2FGFR2JAK2BRD4FGFR1

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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