SCHEMBL1442919

SCHEMBL1442919

CN(C)CCNC(=O)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.CN(C)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1.c1cc(N2CCOCC2)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.48
▸ PIK3CG P48736 7/20 0.48
▸ PIK3CB P42338 6/20 0.48
▸ MTOR P42345 6/20 0.48
▸ PIK3CD O00329 5/20 0.48
▸ PRKD1 Q15139 2/20 0.47
▸ ATM Q13315 2/20 0.46
▸ RAD52 P43351 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ STAMBP O95630 1/20 0.42
▸ COPS5 Q92905 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL1443297 0.93 PIK3CA (0.53) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812436 0.90 PIK3CA (0.56) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812432 0.89 MAP4K4 (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442553 0.77 ATR (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442602 0.77 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1443793 0.76 STK17A (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL10180104 0.76 HDAC1 (0.51) PSMD14STAMBPCOPS5MAP4K4JAK2
SCHEMBL12812408 0.76 PIM1 (0.51) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL13276742 0.75 HSD17B10 (0.51) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442119 0.75 CDK8 (0.47) PIK3CAPIK3CGMAPTSMN1; SMN2MAP4K4

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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