SCHEMBL5760461

SCHEMBL5760461

Cc1cccc2c1N(c1ccnc(Nc3ccc(Br)cc3)n1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.40
PLK4 O00444 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
AURKA O14965 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 4/20 0.38
MKNK1 Q9BUB5 2/20 0.38
ALOX12 P18054 1/20 0.38
PIK3CB P42338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 2/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
NFKB1 P19838 1/20 0.36
NR2C2 P49116 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TAB1 Q15750 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL5758741 0.88 L3MBTL1 (0.52) PIK3CAPIK3CGFLT4KDRPIK3CB
SCHEMBL5758924 0.86 IDH1 (0.52) ROCK1PLK4FLT4KDRL3MBTL1
SCHEMBL5761986 0.85 CDK4 (0.42) PIK3CAPIK3CGAURKAKDRPIK3CB
SCHEMBL5759742 0.85 SCN9A (0.42) ROCK1FLT4KDREGFRJAK2
SCHEMBL5757754 0.83 PTK2 (0.47) ROCK1AURKAKDRL3MBTL1JAK2
SCHEMBL5759805 0.83 CDK2 (0.41) PIK3CAPIK3CGFLT4KDRPIK3CB
SCHEMBL5760262 0.81 CYP1A2 (0.45) PLK4KDRJAK2JAK3CCNA2
SCHEMBL5760237 0.81 PTK2 (0.58) ROCK1AURKAKDRJAK2JAK3
SCHEMBL5760336 0.81 AURKA (0.45) AURKAJAK2JAK3
SCHEMBL5760158 0.80 IGF1R (0.43) ROCK1KDRALOX12

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-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed