SCHEMBL8976326

SCHEMBL8976326

O=c1[nH]cnc2ccc(N3CCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 17/20 1.00
IP6K3 Q96PC2 5/20 1.00
IP6K2 Q9UHH9 2/20 0.67
PIK3CD O00329 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
HSD17B10 Q99714 1/20 0.54
CHEK1 O14757 1/20 0.54
PIM1 P11309 1/20 0.54
AKT1 P31749 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54

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
SCHEMBL8871369 0.98 IP6K1 (1.00) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL8871230 0.87 PIK3CD (0.80) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL4869700 0.78 PIK3CD (0.67) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL4873411 0.78 PIK3CD (0.67) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL30169542 0.77 PIK3CD (0.73) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL4878824 0.77 PIK3CD (0.73) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL27517100 0.76 IP6K1 (0.64) IP6K1IP6K3PIK3CDPIK3CAPIK3CB
SCHEMBL8976318 0.76 IP6K1 (0.61) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL4876138 0.75 PIK3CD (0.71) IP6K1IP6K3IP6K2PIK3CDPIK3CA
SCHEMBL30823308 0.75 PIK3CD (1.00) IP6K1IP6K3IP6K2PIK3CDPIK3CA

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 4 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
CN-1094043-A Quinazoline derivant ZENECA LTD (GB) 1994-10-26 CN disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP disclosed