SCHEMBL27378709

SCHEMBL27378709

COC(=O)CC(=N)CC(C)n1cc(-c2cccc(O)c2)c2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.63
▸ PIK3CA P42336 1/20 0.63
▸ PIK3CB P42338 1/20 0.63
▸ PIK3CG P48736 1/20 0.63
▸ PRKDC P78527 1/20 0.63
▸ SRC P12931 14/20 0.55
▸ ABL1 P00519 12/20 0.55
▸ EGFR P00533 11/20 0.55
▸ ABL2 P42684 11/20 0.55
▸ LCK P06239 5/20 0.55
▸ IGF1R P08069 3/20 0.49
▸ RET P07949 3/20 0.47
▸ KIF5B P33176 3/20 0.47
▸ JAK2 O60674 2/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ INSR P06213 2/20 0.46
▸ NPM1 P06748 2/20 0.46
▸ CSF1R P07333 2/20 0.46
▸ LYN P07948 2/20 0.46
▸ MET P08581 2/20 0.46

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
SCHEMBL27399946 0.91 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27383576 0.88 IGF1R (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL407936 0.79 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27535239 0.75 SRC (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27381319 0.73 SRC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27512441 0.73 SRC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27382297 0.72 SRC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7016560 0.71 ABL1 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGSRC
SCHEMBL12856370 0.71 EGFR (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7021411 0.70 ABL1 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGSRC

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
CN-1079796-C Novel N-7-heterocyclyl-pyrrolo [2, 3-d ] pyrimidines and their use NOVARTIS AG (CH) 2002-02-27 — — CN disclosed
CN-1216544-A Novel N-7-heterocyclyl pyrrolo [2,3-D] pyridines and their use NOVARTIS AG (CH) 1999-05-12 — — CN disclosed
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