SCHEMBL4422876

SCHEMBL4422876

N#CCc1ccc(Nc2nc3ncnc-3c(N)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.38
PIK3CA P42336 11/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CB P42338 3/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
AKT1 P31749 1/20 0.34
TGFBR1 P36897 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
BMPR2 Q13873 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4412660 0.81 ALDH1A1 (0.37) KMT2ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL4414871 0.73 MAPT (0.45) MEN1KMT2AKDRABL1EGFR
SCHEMBL4428827 0.71 EGFR (0.50) KDREGFRNPC1RAB9A
SCHEMBL4417948 0.71 GAA (0.43) PIK3CACDK2GSK3AGSK3BMEN1
SCHEMBL4427810 0.70 EGFR (0.45) PIK3CGPIK3CAPIK3CDPIK3CBMEN1
SCHEMBL4414428 0.70 EGFR (0.47) ABL1EGFRHTTRAB9ASMN1; SMN2
SCHEMBL4411564 0.70 CDC7 (0.49) CDK2GSK3BSTK3MEN1KMT2A
SCHEMBL4413885 0.70 FYN (0.46) GSK3AGSK3BMEN1KMT2AKDR
SCHEMBL4414311 0.70 EGFR (0.53) MEN1KMT2AKDREGFRNPC1
SCHEMBL4417430 0.68 BRAF (0.41) MEN1KMT2AEGFRSMN1; SMN2

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
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed