SCHEMBL7312745

SCHEMBL7312745

Cc1nn(C)c2nc(-c3ccncc3)nc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
CLK1 P49759 1/20 0.45
UBE2N P61088 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH4 Q9H3N8 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
CSNK1D P48730 1/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7316090 0.78 HPGD (0.38) HPGDCSNK1D
SCHEMBL7316083 0.77 KDM4E (0.46) HPGDALDH1A1HSD17B10
SCHEMBL7313398 0.75 POLB (0.42) HPGDALDH1A1MAPK1CLK1UBE2N
SCHEMBL7319490 0.74 MEN1 (0.46) HPGDALDH1A1CSNK1DGSK3B
SCHEMBL7308816 0.73 KDR (0.39) HPGDALDH1A1HSD17B10
SCHEMBL21183232 0.71 DYRK1A (0.38) ALDH1A1MAP4K4CLK4ADORA1LMNA
SCHEMBL4841951 0.71 DHFR (0.36) ALDH1A1MAP4K4CLK4LMNA
SCHEMBL20295395 0.71 KDM4E (0.40) HPGDALDH1A1MAPK1CLK1UBE2N
SCHEMBL7312345 0.70 PDE3B (0.38) HRH4CDC7ROCK2MAP4K4PIM1
SCHEMBL11006461 0.68 MAPT (0.46) HPGDALDH1A1MAPK1HSD17B10HRH4

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
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed