SCHEMBL5760237

SCHEMBL5760237

COc1cc(Nc2nccc(N3CCCc4cccc(C)c43)n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.58
ALK Q9UM73 10/20 0.53
PRKD3 O94806 2/20 0.53
LCK P06239 2/20 0.53
PRKCQ Q04759 2/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
PDGFRB P09619 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53

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
SCHEMBL5757754 0.90 PTK2 (0.47) PTK2ALKPRKD3LCKPRKCQ
SCHEMBL5758741 0.85 L3MBTL1 (0.52) PTK2ALKLCKFLT1KDR
SCHEMBL5759805 0.83 CDK2 (0.41) PTK2FGFR1FLT1KDRGSK3B
SCHEMBL5758488 0.83 ALK (0.73) PTK2ALKPRKD3LCKPRKCQ
SCHEMBL4244620 0.82 PTK2 (0.52) PTK2ALKPRKD3LCKPRKCQ
SCHEMBL5760461 0.81 ROCK1 (0.40) PTK2AURKAJAK2KDRJAK3
SCHEMBL5759742 0.80 SCN9A (0.42) PTK2JAK2ABL1PDGFRBFGFR1
SCHEMBL5761986 0.80 CDK4 (0.42) AURKAJAK2KDRGSK3BJAK3
SCHEMBL4251626 0.80 ALK (0.59) PTK2ALKPRKD3LCKPRKCQ
SCHEMBL4250254 0.80 PTK2 (0.54) PTK2ALKPRKD3LCKPRKCQ

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