SCHEMBL13075397

SCHEMBL13075397

C=C(N)/N=C(C)\N=C(/N)c1cc(C)cnc1Nc1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.50
MTOR P42345 3/20 0.50
SYK P43405 6/20 0.42
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
RET P07949 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR4 P51679 1/20 0.33
JAK2 O60674 1/20 0.33
LYN P07948 1/20 0.33
ZAP70 P43403 1/20 0.33
PTK2 Q05397 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL13075772 0.85 PIK3CA (0.47) PIK3CAMTORSYKEGFRPDGFRB
SCHEMBL13075775 0.71 PIK3CA (0.47) PIK3CAMTOREGFRPIK3CDPIK3CB
SCHEMBL13076085 0.68 PIK3CA (0.59) PIK3CAMTORSYKPIK3CDPIK3CB
SCHEMBL168764 0.67 PIK3CA (1.00) PIK3CAMTOREGFRPDGFRBKDR
SCHEMBL763440 0.66 SYK (0.60) SYKKCNH2MAPK1ZAP70
SCHEMBL20850719 0.64 RET (0.41) PIK3CAMTORSYKEGFRPDGFRB
SCHEMBL17916010 0.63 EGFR (0.49) PIK3CAMTORSYKEGFRPDGFRB
SCHEMBL17060351 0.62 DHODH (0.51) PIK3CAMTORSYKEGFRPDGFRB
SCHEMBL20850880 0.62 RET (0.41) PIK3CAMTORSYKEGFRPDGFRB
SCHEMBL13075456 0.61 PIK3CA (0.47) PIK3CAMTOREGFRPIK3CDPIK3CB

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
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed