SCHEMBL7319490

SCHEMBL7319490

Cc1nn(CC2CCCC2)c2nc(-c3ccncc3)nc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
MTOR P42345 1/20 0.40
DDR1 Q08345 1/20 0.40
PDE5A O76074 1/20 0.38
TSHR P16473 2/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE8B O95263 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 2/20 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
SCHEMBL7316083 0.77 KDM4E (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7312745 0.74 HPGD (0.45) HPGDALDH1A1CSNK1DGSK3B
SCHEMBL7308816 0.73 KDR (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7313398 0.73 POLB (0.42) MAPTKMT2ANPSR1PIK3CAMTOR
SCHEMBL7315963 0.69 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7310219 0.69 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7316090 0.68 HPGD (0.38) RAB9ASMN1; SMN2HPGDCSNK1D
SCHEMBL2508154 0.67 GUCY1A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2509702 0.67 GUCY1A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7309931 0.67 S1PR1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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