SCHEMBL8976318

SCHEMBL8976318

O=c1nc[nH]c2ccc(N3CCCC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 13/20 0.61
▸ IP6K3 Q96PC2 5/20 0.61
▸ HSD17B10 Q99714 2/20 0.50
▸ AR P10275 1/20 0.47
▸ IP6K2 Q9UHH9 2/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ ERCC1 P07992 1/20 0.43
▸ DNASE1 P24855 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KIF11 P52732 1/20 0.42

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
SCHEMBL8871355 0.98 IP6K1 (0.62) IP6K1IP6K3HSD17B10ARIP6K2
SCHEMBL8871223 0.87 PIK3CD (0.60) IP6K1IP6K3HSD17B10PIK3CDPIK3CA
SCHEMBL1444275 0.78 IP6K1 (0.59) IP6K1IP6K3PIK3CDPIK3CAPIK3CB
SCHEMBL14481463 0.77 PIK3CD (0.65) IP6K1IP6K3HSD17B10PIK3CDPIK3CA
SCHEMBL23122450 0.76 IP6K1 (0.60) IP6K1IP6K3PIK3CDPIK3CAPIK3CB
SCHEMBL8976326 0.76 IP6K1 (1.00) IP6K1IP6K3HSD17B10IP6K2PIK3CD
SCHEMBL8871369 0.75 IP6K1 (1.00) IP6K1IP6K3HSD17B10IP6K2PIK3CD
SCHEMBL27517100 0.73 IP6K1 (0.64) IP6K1IP6K3PIK3CDPIK3CAPIK3CB
SCHEMBL8622177 0.72 ACVR1 (0.46) IP6K1MEN1ALDH1A1MAPTALOX15
SCHEMBL1584889 0.72 PIM1 (0.56) MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 — — US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 — — EP disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 — — EP disclosed
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