SCHEMBL6986764

SCHEMBL6986764

CSc1ccnc(-n2cc(Br)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PTGS2 P35354 3/20 0.41
MAPK14 Q16539 3/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6988161 0.84 PTGS2 (0.43) PTGS2KDM4EHSD17B10TDO2ALDH1A1
SCHEMBL6982952 0.79 MAPK14 (0.39) CCNA2CDK2CDK5CDK5R1PTGS2
SCHEMBL6981902 0.69 MAPK9 (0.62) CDK2CYP2C9MAPK9
SCHEMBL6986720 0.68 MAPK9 (0.67) MAPK9
SCHEMBL2666275 0.65 KMO (0.48) MAPK14KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11467792 0.64 LMNA (0.58) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL13692259 0.63 ABL1 (0.58) KDM4EHSD17B10ALDH1A1CYP1A2KMO
SCHEMBL1720476 0.62 PTGS2 (0.49) CCNA2CDK2CDK5DYRK1ACDK5R1
SCHEMBL27779350 0.62 KDM4E (0.51) CCNA2CDK2CDK5DYRK1ACDK5R1
SCHEMBL1720026 0.62 PTGS2 (0.49) PTGS2LMNAKDM4EHSD17B10ALDH1A1

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-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed