SCHEMBL17849953

SCHEMBL17849953

COC(=O)Nc1cccc(Nc2cc(Nc3ccccc3)c3ncc(C#N)n3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.49
▸ PDE4D Q08499 3/20 0.46
▸ DYRK3 O43781 2/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ DYRK2 Q92630 2/20 0.41
▸ DYRK1B Q9Y463 2/20 0.41
▸ CSNK2A1 P68400 4/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2358706 0.90 TYK2 (0.51) TYK2PDE4DDYRK3CCNT1CCNA2
SCHEMBL12012914 0.87 TYK2 (0.53) TYK2PDE4DCSNK2A1CSNK2A2CSNK2B
SCHEMBL3311950 0.81 DYRK3 (0.46) TYK2PDE4DDYRK3CCNT1CCNA2
SCHEMBL2358576 0.79 TYK2 (0.37) TYK2PDE4DMAPTMAPK1
SCHEMBL3316421 0.79 TYK2 (0.58) TYK2PDE4DDYRK3CDK2CSNK2A1
SCHEMBL3313651 0.78 CSNK2A1 (0.58) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL2358072 0.76 TYK2 (0.53) TYK2PDE4DCSNK2A1CSNK2A2CSNK2B
SCHEMBL3307854 0.76 TYK2 (0.52) TYK2PDE4DDYRK2CSNK2A1CSNK2A2
SCHEMBL3313502 0.76 TYK2 (0.52) TYK2PDE4DCSNK2A1CSNK2A2CSNK2B
SCHEMBL12012925 0.76 TYK2 (0.47) TYK2PDE4DDYRK3CDK2DYRK2

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
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
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