SCHEMBL18376855

SCHEMBL18376855

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.58
▸ JAK3 P52333 12/20 0.58
▸ TBK1 Q9UHD2 3/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ BMPR1B O00238 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ OPA1 O60313 1/20 0.41
▸ ROCK2 O75116 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
SCHEMBL18376856 0.93 JAK2 (0.51) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376779 0.92 TBK1 (0.50) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18377058 0.92 JAK2 (0.59) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376744 0.89 JAK2 (0.58) JAK2JAK3TBK1MAPK10KDR
SCHEMBL18376605 0.88 MAPK10 (0.44) JAK2JAK3TBK1MAPK10ABL1
SCHEMBL18376781 0.86 TBK1 (0.50) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376783 0.86 JAK2 (0.58) JAK2JAK3TBK1MAPK10FGFR2
SCHEMBL18377059 0.84 CDK1 (0.51) JAK2JAK3TBK1MAPK10CDK1
SCHEMBL18376762 0.83 JAK2 (0.51) JAK2JAK3MAPK10KDRSRC
SCHEMBL18376859 0.82 JAK2 (0.49) JAK2JAK3TBK1SRCFGFR2

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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