SCHEMBL18376605

SCHEMBL18376605

CCN1CCN(Cc2cccc(Nc3ncc4cccc(-c5ccc(C(=O)NC(C)(C)C)cc5)c4n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 0.44
▸ ACKR3 P25106 7/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ JAK2 O60674 5/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ AURKA O14965 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ DDR2 Q16832 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
SCHEMBL18376780 0.92 TBK1 (0.49) MAPK10ACKR3ABL1PDGFRBBCR
SCHEMBL18376759 0.91 MAPK10 (0.53) MAPK10JAK2JAK3BRD4TBK1
SCHEMBL18376775 0.89 PTK2 (0.51) MAPK10SRCJAK2JAK3FGFR2
SCHEMBL18376855 0.88 JAK2 (0.58) MAPK10ABL1PDGFRBBCRSRC
SCHEMBL18376856 0.86 JAK2 (0.51) MAPK10ABL1PDGFRBBCRSRC
SCHEMBL18376859 0.82 JAK2 (0.49) SRCJAK2JAK3FGFR2BRD4
SCHEMBL18376782 0.81 JAK2 (0.49) SRCJAK2JAK3FGFR2BRD4
SCHEMBL18376779 0.80 TBK1 (0.50) MAPK10ABL1PDGFRBBCRSRC
SCHEMBL18376784 0.79 TBK1 (0.49) MAPK10JAK2JAK3FGFR2BRD4
SCHEMBL18377058 0.79 JAK2 (0.59) MAPK10JAK2JAK3TBK1PTK2

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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