SCHEMBL19005370

SCHEMBL19005370

O=C(CC(F)(F)F)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(OCC6CC6)ncc5O)cc4[nH]3)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.87
CCNT1 O60563 2/20 0.69
FLT3 P36888 2/20 0.69
CDK9 P50750 2/20 0.69
IKBKE Q14164 2/20 0.69
RPS6KA6 Q9UK32 2/20 0.69
ULK1 O75385 1/20 0.69

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
SCHEMBL18985239 0.93 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985244 0.90 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985542 0.85 TBK1 (1.00) TBK1
SCHEMBL19005374 0.84 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985619 0.83 TBK1 (1.00) TBK1
SCHEMBL19004943 0.83 TBK1 (0.84) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL19005208 0.83 TBK1 (0.88) TBK1
SCHEMBL18985415 0.82 TBK1 (1.00) TBK1
SCHEMBL18985295 0.82 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985395 0.82 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE

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
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed