SCHEMBL19004943

SCHEMBL19004943

O=C(CC(F)(F)F)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ccc(O)nc5)cc4[nH]3)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.84
CCNT1 O60563 4/20 0.81
FLT3 P36888 4/20 0.81
CDK9 P50750 4/20 0.81
IKBKE Q14164 4/20 0.81
RPS6KA6 Q9UK32 4/20 0.81

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
SCHEMBL19004973 0.92 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985354 0.92 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985233 0.91 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985621 0.90 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985295 0.90 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL19005423 0.90 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985404 0.90 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985663 0.89 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL20720836 0.89 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18986173 0.89 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