SCHEMBL24467463

SCHEMBL24467463

CC(C)n1nc(-c2ccc3cc(C=O)[nH]c3c2)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.70
RET P07949 5/20 0.70
SRC P12931 15/20 0.69
ABL1 P00519 14/20 0.69
PIK3CD O00329 13/20 0.69
PIK3CA P42336 13/20 0.69
PIK3CG P48736 13/20 0.69
PRKDC P78527 13/20 0.69
HCK P08631 13/20 0.69
EGFR P00533 12/20 0.69
MTOR P42345 12/20 0.69
EPHB4 P54760 12/20 0.69
PIK3CB P42338 12/20 0.69
PI4KB Q9UBF8 3/20 0.66

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
SCHEMBL24907281 0.86 KDR (0.73) KDRRETSRCABL1PIK3CD
SCHEMBL24467449 0.84 RET (0.71) KDRRETSRCABL1PIK3CD
SCHEMBL20534730 0.83 KDR (0.81) KDRRETSRCABL1PIK3CD
SCHEMBL29904440 0.83 KDR (0.81) KDRRETSRCABL1PIK3CD
SCHEMBL20535281 0.83 KDR (1.00) KDRRETSRCABL1PIK3CD
SCHEMBL2320180 0.80 SRC (1.00) KDRSRCABL1PIK3CDPIK3CA
SCHEMBL28455902 0.78 SRC (0.76) KDRRETSRCABL1PIK3CD
SCHEMBL2315798 0.78 SRC (1.00) KDRSRCABL1PIK3CDPIK3CA
SCHEMBL20534669 0.77 RET (1.00) KDRRETSRCABL1PIK3CD
SCHEMBL20534933 0.77 KDR (1.00) KDRRETSRCABL1PIK3CD

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-3609898-B1 COMPOUNDS USEFUL AS RET INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-06-01 EP disclosed