SCHEMBL6122986

SCHEMBL6122986

COC(=O)c1c(-c2ccccn2)c(CCNC(=O)OC(C)(C)C)nc2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.44
DHODH Q02127 1/20 0.43
ATM Q13315 3/20 0.40
NQO2 P16083 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GNRHR P30968 1/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL2718042 0.93 PIK3CD (0.40) PLA2G2ADHODHATMNQO2NPSR1
SCHEMBL2716877 0.91 PIK3CD (0.46) PLA2G2AATMNQO2NPSR1PIK3CD
SCHEMBL6128776 0.90 ALDH1A1 (0.41) PLA2G2AATMNQO2NPSR1PIK3CD
SCHEMBL2717642 0.90 PIK3CD (0.49) ATMNQO2NPSR1PIK3CDPIK3CA
SCHEMBL2719177 0.89 DHODH (0.50) PLA2G2ADHODHNQO2ALDH1A1GNRHR
SCHEMBL2718085 0.89 PIK3CD (0.43) ATMNPSR1PIK3CDPIK3CAPIK3CB
SCHEMBL2717092 0.89 GNRHR (0.41) PLA2G2AATMNQO2NPSR1PIK3CD
SCHEMBL6122099 0.88 PIK3CD (0.40) ATMNQO2NPSR1PIK3CDPIK3CA
SCHEMBL2718087 0.88 PIK3CD (0.38) PLA2G2AATMNQO2NPSR1PIK3CD
SCHEMBL2716751 0.86 PIK3CD (0.42) PLA2G2AATMNQO2NPSR1PIK3CD

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-2640715-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS Amgen Inc. (US) 2013-09-25 EP disclosed
WO-2012068343-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS AMGEN INC. (US) 2012-05-24 WO disclosed