SCHEMBL10098362

SCHEMBL10098362

CC1=CCC(c2n[nH]c3ncnc(N)c23)C=C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.56
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
PRKDC P78527 4/20 0.35
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
MTOR P42345 1/20 0.31
EPHB4 P54760 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL10098366 0.74 RET (0.73) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19763994 0.72 RET (1.00) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL726637 0.69 RET (0.76) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL726543 0.69 RET (0.80) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16075033 0.67 RET (0.38) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14475665 0.67 LIMK1 (0.32) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1598752 0.66 PIK3CD (0.44) RETPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL16654494 0.66 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8293390 0.66 RET (0.45) RET
SCHEMBL28508442 0.64 RET (0.43) RETPIK3CDPIK3CAPIK3CBPIK3CG

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-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 WO disclosed