SCHEMBL23735135

SCHEMBL23735135

COc1c(C)cnc(COc2ccc(-c3n[nH]c4ncnc(N)c34)cc2C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.43
SRC P12931 15/20 0.41
ABL1 P00519 13/20 0.41
PIK3CD O00329 11/20 0.40
HCK P08631 11/20 0.40
PIK3CA P42336 11/20 0.40
PIK3CB P42338 11/20 0.40
MTOR P42345 11/20 0.40
PIK3CG P48736 11/20 0.40
EPHB4 P54760 11/20 0.40
PRKDC P78527 11/20 0.40
KDR P35968 10/20 0.40
PI4KB Q9UBF8 10/20 0.40
EGFR P00533 10/20 0.40
LIMK1 P53667 1/20 0.36
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL19414291 0.76 SRC (0.40) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL149180 0.75 PIK3CD (0.55) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL13717931 0.75 SRC (0.48) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL16665685 0.73 PIK3CD (0.67) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL19414295 0.72 SRC (0.47) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL11306 0.72 SRC (0.47) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL11214 0.70 DYRK1A (0.48) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL10811 0.70 SRC (0.57) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL17365228 0.69 PDGFRB (0.46) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL149528 0.69 KDR (0.52) SRCABL1PIK3CDHCKPIK3CA

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
EP-3398950-B1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-08-11 EP disclosed