SCHEMBL12960042

SCHEMBL12960042

Cc1cc2nc(C(N)=O)c(=N)n(CCCn3cccc3)c2cc1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12958595 0.90 CYP1A2 (0.41) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12960044 0.87 CYP1A2 (0.41) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12959268 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12958989 0.78 PRKCI (0.43) CYP1A2TSHRCASP1CASP7HSD17B10
SCHEMBL12959386 0.72 MEN1 (0.52) CYP1A2CASP1CASP7HSD17B10
SCHEMBL12959278 0.70 JAK2 (0.40) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12959293 0.70 MAPT (0.43) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL12287021 0.70 ADRA1D (0.45) JAK2JAK1TYK2JAK3
SCHEMBL13496361 0.67 HDAC1 (0.41) JAK2JAK1TYK2JAK3TSHR
SCHEMBL12959357 0.67 BCHE (0.39) JAK2JAK1TYK2JAK3

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-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — WO disclosed
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