SCHEMBL4198397

SCHEMBL4198397

O=CCN1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 9/20 0.56
PDGFRB P09619 7/20 0.56
EGFR P00533 3/20 0.55
FGFR1 P11362 4/20 0.52
JAK2 O60674 4/20 0.49
SYK P43405 3/20 0.49
BRD4 O60885 1/20 0.49
WEE1 P30291 5/20 0.47
ALK Q9UM73 5/20 0.47
PTK2 Q05397 5/20 0.47
BTK Q06187 4/20 0.47
AURKA O14965 3/20 0.47
DAPK3 O43293 3/20 0.47
PRKD3 O94806 3/20 0.47
MAP4K4 O95819 3/20 0.47
PAK4 O96013 3/20 0.47
LCK P06239 3/20 0.47
FYN P06241 3/20 0.47
CSF1R P07333 3/20 0.47
RET P07949 3/20 0.47

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
SCHEMBL4198251 0.93 EGFR (0.59) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3280136 0.87 EGFR (0.71) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3283903 0.86 PDGFRA (0.68) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3286821 0.85 SYK (0.69) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3279455 0.85 EGFR (0.57) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3279981 0.84 PDGFRB (0.56) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3278287 0.81 CDC7 (0.52) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3280654 0.79 EGFR (0.62) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL3281334 0.78 EGFR (0.61) PDGFRAPDGFRBEGFRFGFR1JAK2
SCHEMBL1021471 0.78 PTK2 (0.47) EGFRJAK2SYKBRD4PTK2

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-2009026107-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 WO claimed