SCHEMBL30366458

SCHEMBL30366458

Nc1ncc(Br)nc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
PIK3CA P42336 11/20 0.43
MTOR P42345 7/20 0.43
PIK3R1 P27986 4/20 0.43
PIK3CD O00329 3/20 0.43
POLB P06746 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 2/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL1445139 1.00 KDM4E (0.51) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL22234855 0.84 MAPT (0.49) KDM4EALDH1A1MAPK1TSHR
SCHEMBL11224235 0.83 KDM4E (0.51) KDM4EGAAALDH1A1MAPK1PIK3CA
SCHEMBL2317513 0.82 CYP1A2 (0.47) ALDH1A1MAPK1TSHR
SCHEMBL14725974 0.81 ALDH1A1 (0.48) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL5560392 0.81 KDM4E (0.50) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL11219511 0.81 ALDH1A1 (0.48) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL14725971 0.81 ALDH1A1 (0.44) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL2321391 0.81 MAPK1 (0.50) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL3146942 0.79 HRH4 (0.54)

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-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP disclosed