SCHEMBL7121298

SCHEMBL7121298

CC(C)Nc1nc2c(F)c(F)c(F)cc2[nH]1.Nc1cc(F)c(F)c(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7120039 0.89 CSNK2A2 (0.42) CBFBCSNK2A2CSNK2BCSNK2A1HRH4
SCHEMBL8016006 0.85 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1
SCHEMBL7114594 0.75 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL7122586 0.71 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL7214338 0.69 KDM4E (0.43) CBFBCSNK2A2CSNK2BCSNK2A1HRH4
SCHEMBL899953 0.67 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL7208992 0.64 HTT (0.56) CBFBCSNK2A2CSNK2BCSNK2A1HRH4
SCHEMBL7209326 0.64 RHEB (0.44) CSNK2A2CSNK2BCSNK2A1EGLN1ALDH1A1
SCHEMBL7734462 0.62 AR (0.40) CSNK2A2CSNK2BCSNK2A1EGLN1ALDH1A1
SCHEMBL3469733 0.61 CBFB (0.44) CBFBHRH4EGLN1ALDH1A1LMNA

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
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 — — EP disclosed
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