SCHEMBL4039797

SCHEMBL4039797

Nc1nc(Nc2ccc3[nH]c(N4CCOCC4)nc3c2)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.49
▸ RIPK2 O43353 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ STAT6 P42226 2/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 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
SCHEMBL2551874 0.80 CSF1R (0.56) SYKNPC1RAB9ASMN1; SMN2CDK2
SCHEMBL15790797 0.76 SYK (0.51) SYKNPC1RAB9ASMN1; SMN2CDK2
SCHEMBL19527697 0.73 SYK (0.48) SYKNPC1RAB9ASMN1; SMN2CDK2
SCHEMBL1475134 0.73 JAK3 (0.62) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL6239333 0.73 TP53 (0.64) TP53NPC1RAB9ASMN1; SMN2
SCHEMBL4480117 0.70 TP53 (0.50) TP53
SCHEMBL2745468 0.69 SYK (0.74) SYKNPC1RAB9A
SCHEMBL29430372 0.69 CDC7 (0.63) SYK
SCHEMBL2744897 0.69 SYK (0.60) SYKFLT3IGF1R
SCHEMBL4482233 0.69 CDC7 (0.63) SYK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 — — EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 — — WO disclosed
EP-2049488-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES Bayer CropScience AG (DE) 2009-04-22 — — EP disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 — — EP disclosed
EP-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 — — EP disclosed
WO-2008009360-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-24 — — WO disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 — — WO disclosed
WO-2007115646-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2007-10-18 — — WO disclosed
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