SCHEMBL3971539

SCHEMBL3971539

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1cc2cccc(C#N)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.54
JAK2 O60674 7/20 0.52
JAK3 P52333 7/20 0.52
BRD4 O60885 5/20 0.49
KDR P35968 5/20 0.49
BRDT Q58F21 2/20 0.49
CDK1 P06493 2/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
SRC P12931 7/20 0.48
JAK1 P23458 6/20 0.48
TYK2 P29597 3/20 0.48
FGFR1 P11362 3/20 0.48
YES1 P07947 3/20 0.48
EPHB4 P54760 3/20 0.48
RET P07949 2/20 0.48
FLT3 P36888 2/20 0.48
ABL1 P00519 2/20 0.48
EGFR P00533 2/20 0.48
LCK P06239 2/20 0.48

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
SCHEMBL3964125 0.88 AXL (0.53) AXLJAK2JAK3BRD4KDR
SCHEMBL3969734 0.84 AXL (0.59) AXLJAK2JAK3BRD4KDR
SCHEMBL3966340 0.84 AXL (0.55) AXLJAK2JAK3BRD4KDR
SCHEMBL3967636 0.84 AXL (0.55) AXLJAK2JAK3BRD4KDR
SCHEMBL13881522 0.82 AXL (0.57) AXLJAK2JAK3BRD4KDR
SCHEMBL3968117 0.80 AXL (0.62) AXLJAK2JAK3BRD4KDR
SCHEMBL3968157 0.80 AXL (0.58) AXLJAK2JAK3BRD4KDR
SCHEMBL13881557 0.80 AXL (0.60) AXLJAK2JAK3BRD4KDR
SCHEMBL3966017 0.80 AXL (0.58) AXLJAK2JAK3BRD4KDR
SCHEMBL3971666 0.79 AXL (0.59) AXLJAK2JAK3BRD4KDR

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