SCHEMBL28529212

SCHEMBL28529212

CC1(c2cc(-c3cnc(NC(=O)N4CCC[C@H]4C(N)=O)s3)ccn2)CC1.NC(=O)[C@@H]1CCCN1C(=O)Nc1ncc(-c2ccnc(C3CCC3)c2)s1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.66
▸ PIK3CB P42338 12/20 0.63
▸ PIK3CD O00329 11/20 0.63
▸ PIK3CG P48736 10/20 0.63
▸ GAK O14976 1/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PIK3R1 P27986 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47

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
SCHEMBL11938372 0.94 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938378 0.93 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938371 0.92 PIK3CA (0.74) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938401 0.87 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL28538508 0.87 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938375 0.83 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938373 0.83 PIK3CA (0.72) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL15682001 0.82 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938397 0.80 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938369 0.80 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 — — CN disclosed
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