SCHEMBL6954486

SCHEMBL6954486

Cc1c(COC(=O)C(N)C(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33
MTOR P42345 1/20 0.33
KCNH3 Q9ULD8 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
XIAP P98170 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TRPC3 Q13507 2/20 0.32
TRPC6 Q9Y210 2/20 0.32
THRB P10828 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MARK3 P27448 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGFR P43088 1/20 0.30
EGFR P00533 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL6954489 1.00 PIK3CD (0.33) PIK3CDPIK3C2BMTORKCNH3KMT2A
Hydrochloric Acid SCHEMBL6961955 0.99 KCNH3 (0.34) PIK3CDPIK3C2BMTORKCNH3KMT2A
Hydrochloric Acid SCHEMBL6961952 0.99 KCNH3 (0.34) PIK3CDPIK3C2BMTORKCNH3KMT2A
SCHEMBL6967941 0.92 TRPC3 (0.34) KCNH3KMT2AMEN1JAK2JAK1
SCHEMBL6967711 0.89 TRPC3 (0.37) KCNH3KMT2AMEN1JAK2JAK1
SCHEMBL6967978 0.89 PIK3CD (0.36) PIK3CDPIK3C2BKCNH3JAK2JAK1
SCHEMBL6963858 0.89 PIK3CD (0.36) PIK3CDPIK3C2BKCNH3JAK2JAK1
Hydrochloric Acid SCHEMBL6968345 0.89 KCNH3 (0.33) KCNH3KMT2AMEN1XIAPJAK2
Hydrochloric Acid SCHEMBL6968349 0.89 KCNH3 (0.33) KCNH3KMT2AMEN1XIAPJAK2
Hydrochloric Acid SCHEMBL6956268 0.88 PIK3CD (0.36) PIK3CDPIK3C2BKCNH3JAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US claimed