SCHEMBL18985658

SCHEMBL18985658

O=C(O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cnn(CC6CCC6)c5)cc4[nH]3)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.88
CCNT1 O60563 3/20 0.78
FLT3 P36888 3/20 0.78
CDK9 P50750 3/20 0.78
IKBKE Q14164 3/20 0.78
RPS6KA6 Q9UK32 3/20 0.78
ULK1 O75385 1/20 0.78

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
SCHEMBL18985786 0.94 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985574 0.91 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985403 0.91 TBK1 (0.95) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985684 0.90 TBK1 (0.81) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL19005082 0.89 TBK1 (0.79) TBK1CCNT1FLT3CDK9IKBKE
Hydrochloric Acid SCHEMBL18985857 0.88 TBK1 (0.78) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985834 0.88 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985536 0.87 TBK1 (0.80) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL19005035 0.86 TBK1 (0.78) TBK1CCNT1FLT3CDK9IKBKE
Hydrochloric Acid SCHEMBL18985914 0.85 TBK1 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed