SCHEMBL2372470

SCHEMBL2372470

COc1ccc(Nc2nc(C(N)=O)c(Nc3ccc(CN4CCN(C)CC4)cc3)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 4/20 0.66
TBK1 Q9UHD2 3/20 0.66
TNIK Q9UKE5 13/20 0.63
CCNT1 O60563 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CDK9 P50750 1/20 0.54
CDK6 Q00534 1/20 0.54
CDK11A Q9UQ88 1/20 0.54
AXL P30530 1/20 0.47

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
SCHEMBL3392647 0.91 TNIK (0.77) IKBKETBK1TNIK
SCHEMBL15547860 0.87 TNIK (0.82) IKBKETBK1TNIK
SCHEMBL15667669 0.84 TNIK (0.67) IKBKETBK1TNIK
SCHEMBL14059163 0.80 TBK1 (1.00) IKBKETBK1
SCHEMBL3390733 0.79 TNIK (0.62) IKBKETNIK
SCHEMBL2371218 0.79 TNIK (0.57) TNIK
SCHEMBL3394644 0.79 TBK1 (0.77) IKBKETBK1TNIK
SCHEMBL14153333 0.78 TBK1 (0.79) IKBKETBK1TNIK
SCHEMBL16707055 0.78 TNIK (1.00) TNIK
SCHEMBL3394626 0.77 TNIK (0.76) TNIKCCNT1CDK4CCND1CDK9

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-2364149-A1 TNIK INHIBITOR AND THE USE National Cancer Center (JP) 2011-09-14 EP disclosed
WO-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO disclosed