SCHEMBL1443297

SCHEMBL1443297

CN(C)CCNC(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.c1cc(N2CCOCC2)ccc1-c1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.53
▸ PIK3CG P48736 7/20 0.53
▸ PIK3CB P42338 6/20 0.53
▸ MTOR P42345 6/20 0.53
▸ PIK3CD O00329 5/20 0.53
▸ PRKD1 Q15139 2/20 0.52
▸ ATM Q13315 1/20 0.51
▸ RAD52 P43351 1/20 0.48
▸ MAP4K4 O95819 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PRKD2 Q9BZL6 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CAMK2D Q13557 1/20 0.44
▸ FYN P06241 2/20 0.44

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
SCHEMBL12812436 0.97 PIK3CA (0.56) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442919 0.93 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812432 0.88 MAP4K4 (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442553 0.82 ATR (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL10180104 0.81 HDAC1 (0.51) MAP4K4JAK2FLT3
SCHEMBL13276742 0.81 HSD17B10 (0.51) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812018 0.80 MAPK14 (0.61) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1443793 0.80 STK17A (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12811768 0.79 PRKDC (0.49) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442554 0.79 LRRK2 (0.47) PIK3CAPIK3CGPIK3CBMTORPIK3CD

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-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO claimed
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