SCHEMBL19004883

SCHEMBL19004883

Cc1cc(-c2ccc3nc(Nc4cc(CN5CCN(C)CC5)ccn4)[nH]c3c2)ncn1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.76
FLT3 P36888 2/20 0.74
IKBKE Q14164 2/20 0.74
RPS6KA6 Q9UK32 2/20 0.74
CCNT1 O60563 1/20 0.74
CDK9 P50750 1/20 0.74
ULK1 O75385 1/20 0.62
STK17A Q9UEE5 1/20 0.62

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
SCHEMBL19005209 0.91 TBK1 (0.74) TBK1FLT3IKBKERPS6KA6CCNT1
Hydrochloric Acid SCHEMBL20720878 0.91 TBK1 (0.73) TBK1FLT3IKBKERPS6KA6CCNT1
SCHEMBL19003941 0.89 TBK1 (0.75) TBK1FLT3IKBKERPS6KA6CCNT1
SCHEMBL18985346 0.87 TBK1 (1.00) TBK1
SCHEMBL19005316 0.86 TBK1 (0.77) TBK1IKBKE
SCHEMBL18985676 0.85 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6CCNT1
SCHEMBL19005341 0.85 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6CCNT1
SCHEMBL18985213 0.85 TBK1 (1.00) TBK1
SCHEMBL18985608 0.85 TBK1 (0.85) TBK1
SCHEMBL19004953 0.83 TBK1 (0.76) TBK1FLT3IKBKERPS6KA6CCNT1

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