SCHEMBL3131514

SCHEMBL3131514

CNc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCC[C@@H](NC(=O)O)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.40
▸ CDK8 P49336 3/20 0.40
▸ BTK Q06187 3/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ SYK P43405 3/20 0.38
▸ AURKA O14965 4/20 0.38
▸ PDPK1 O15530 4/20 0.38
▸ AURKB Q96GD4 4/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE4B Q07343 1/20 0.35

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
SCHEMBL16966441 0.89 KDM1A (0.45) SYKAURKAPDPK1AURKBJAK2
SCHEMBL12119790 0.88 JAK3 (0.53) BTKJAK3SYKAURKAPDPK1
SCHEMBL16966439 0.86 AURKA (0.38) CCNCCDK8AURKAPDPK1AURKB
SCHEMBL12119798 0.83 JAK3 (0.49) BTKJAK3SYKAURKAPDPK1
SCHEMBL1318215 0.82 KHK (0.35) AURKAPDPK1AURKB
SCHEMBL1319853 0.80 AURKA (0.52) BTKAURKAPDPK1AURKBJAK2
SCHEMBL16966467 0.79 AURKA (0.36) AURKAPDPK1AURKBKDM1A
SCHEMBL12119796 0.78 AURKA (0.54) BTKJAK3SYKAURKAPDPK1
SCHEMBL3124312 0.77 CCNC (0.46) CCNCCDK8BTKJAK3PPARD
SCHEMBL1318597 0.76 CHRM2 (0.34) AURKAPDPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
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