SCHEMBL18376856

SCHEMBL18376856

CCN1CCN(Cc2cccc(Nc3ncc4cccc(-c5ccc(C(=O)NCCC#N)cc5)c4n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.51
▸ JAK3 P52333 7/20 0.51
▸ TBK1 Q9UHD2 4/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ FGFR2 P21802 1/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL18376855 0.93 JAK2 (0.58) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376781 0.93 TBK1 (0.50) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18377059 0.91 CDK1 (0.51) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376762 0.90 JAK2 (0.51) JAK2JAK3MAPK10KDRSRC
SCHEMBL18376858 0.87 PTK2 (0.51) JAK2JAK3TBK1MAPK10FGFR2
SCHEMBL18376779 0.86 TBK1 (0.50) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376605 0.86 MAPK10 (0.44) JAK2JAK3TBK1MAPK10ABL1
SCHEMBL18377058 0.85 JAK2 (0.59) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376744 0.83 JAK2 (0.58) JAK2JAK3TBK1MAPK10KDR
SCHEMBL18376839 0.81 EGFR (0.53) JAK2JAK3MAPK10CDK1SYK

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
Send feedback