SCHEMBL3966017

SCHEMBL3966017

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(-c2c(C)cccc2C)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.58
SRC P12931 10/20 0.56
PDGFRB P09619 4/20 0.55
LCK P06239 3/20 0.55
FGFR1 P11362 3/20 0.55
KDR P35968 3/20 0.55
TEK Q02763 3/20 0.55
ABL1 P00519 2/20 0.55
EGFR P00533 2/20 0.55
FYN P06241 2/20 0.55
YES1 P07947 2/20 0.55
LYN P07948 2/20 0.55
RPS6KB1 P23443 2/20 0.55
CSK P41240 2/20 0.55
BLK P51451 2/20 0.55
EPHB4 P54760 2/20 0.55
MAP2K1 Q02750 2/20 0.55
RAF1 P04049 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL3969809 0.92 AXL (0.55) AXLSRCPDGFRBLCKFGFR1
SCHEMBL13881557 0.91 AXL (0.60) AXLSRCPDGFRBLCKFGFR1
SCHEMBL3971111 0.90 AXL (0.55) AXLSRCPDGFRBLCKFGFR1
SCHEMBL3968117 0.90 AXL (0.62) AXLSRCPDGFRBLCKFGFR1
SCHEMBL13881537 0.88 AXL (0.60) AXLSRCPDGFRBLCKFGFR1
SCHEMBL4083891 0.88 AXL (0.55) AXLSRCPDGFRBLCKFGFR1
SCHEMBL4078667 0.88 AXL (0.55) AXLSRCPDGFRBLCKFGFR1
SCHEMBL13881535 0.87 AXL (0.59) AXLSRCPDGFRBLCKFGFR1
SCHEMBL13881483 0.87 AXL (0.64) AXLSRCPDGFRBLCKFGFR1
SCHEMBL3973039 0.87 SRC (0.58) AXLSRCPDGFRBLCKFGFR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed