SCHEMBL29544871

SCHEMBL29544871

COC(=O)c1[nH]nc(-c2ccncc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
RAF1 P04049 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
MAPK13 O15264 1/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP2K4 P45985 2/20 0.39

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
SCHEMBL31412648 0.85 KDM4C (0.38) HPGDSALDH1A1MAPK1KDM4CCCNC
SCHEMBL17129029 0.85 DUSP3 (0.48) HPGDSALDH1A1MAPK1ALOX5SMN1; SMN2
SCHEMBL31728612 0.79 CCNC (0.45) ALDH1A1KDM4CCCNCCDK8MEN1
SCHEMBL11070855 0.73 RAB9A (0.50) ALDH1A1MAPK1KDM4CSMN1; SMN2MEN1
SCHEMBL9986229 0.71 MAPK1 (0.58) MAPK1MAP2K4
SCHEMBL24963537 0.71 PDE1A (0.42) MAPK1PDE1APDE1BPDE3BPDE1C
SCHEMBL29749406 0.71 KDM4C (0.65) ALDH1A1MAPK1KDM4CSMN1; SMN2MEN1
SCHEMBL23294471 0.71 KDM4C (0.50) ALDH1A1MAPK1KDM4CMEN1HPGD
SCHEMBL1919617 0.69 CDC7 (0.49) ALDH1A1MAPK1RAF1CYP46A1HPGD
SCHEMBL7978314 0.69 KDM4C (0.53) ALDH1A1MAPK1KDM4CSMN1; SMN2MEN1

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed