SCHEMBL18537726

SCHEMBL18537726

Cc1cc(CO)c2c(N)c(C)sc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.68
CDK8 P49336 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
ATM Q13315 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHUK O15111 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43

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
SCHEMBL18537594 0.81 CDK8 (0.67) CDK8CDK19L3MBTL1POLBKDM4E
SCHEMBL19000082 0.81 IKBKB (0.64) IKBKBCDK8CDK19L3MBTL1POLB
SCHEMBL3173443 0.81 IKBKB (1.00) IKBKBCDK8CDK19L3MBTL1POLB
SCHEMBL18537675 0.78 KDM4E (0.61) IKBKBPOLBKDM4EALDH1A1HPGD
SCHEMBL18537728 0.72 IKBKB (0.65) IKBKBCDK8CDK19L3MBTL1POLB
SCHEMBL18537629 0.71 ALDH1A1 (0.64) IKBKBCDK8CDK19KDM4EALDH1A1
SCHEMBL19000276 0.71 ALDH1A1 (0.52) IKBKBL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21704232 0.71 KDM4E (0.40) IKBKBCDK8CDK19POLBKDM4E
SCHEMBL18537604 0.70 IKBKB (0.47) IKBKBCDK8CDK19L3MBTL1POLB
SCHEMBL6384917 0.70 IKBKB (0.81) IKBKBCDK8CDK19L3MBTL1POLB

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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed