SCHEMBL3969938

SCHEMBL3969938

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.56
JAK2 O60674 5/20 0.51
JAK3 P52333 5/20 0.51
BRD4 O60885 4/20 0.51
BRDT Q58F21 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
SRC P12931 10/20 0.50
JAK1 P23458 4/20 0.50
YES1 P07947 4/20 0.50
KDR P35968 4/20 0.50
EPHB4 P54760 4/20 0.50
PDGFRB P09619 4/20 0.50
RET P07949 3/20 0.50
ABL1 P00519 3/20 0.50
LCK P06239 3/20 0.50
LYN P07948 3/20 0.50
TYK2 P29597 2/20 0.50
FLT3 P36888 2/20 0.50
EGFR P00533 2/20 0.50

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
SCHEMBL13881584 0.91 AXL (0.56) AXLJAK2JAK3BRD4BRDT
SCHEMBL13881557 0.90 AXL (0.60) AXLJAK2JAK3BRD4BRDT
SCHEMBL3972550 0.87 AXL (0.44) AXLJAK2JAK3BRD4BRDT
SCHEMBL3964138 0.86 JAK2 (0.59) AXLJAK2JAK3BRD4BRDT
SCHEMBL13881583 0.86 AXL (0.54) AXLJAK2JAK3KDR
SCHEMBL3966017 0.85 AXL (0.58) AXLJAK2JAK3BRD4BRDT
SCHEMBL3966826 0.85 AXL (0.53) AXLJAK2JAK3BRD4BRDT
SCHEMBL13881451 0.85 AXL (0.53) AXLJAK2JAK3BRD4BRDT
SCHEMBL3967251 0.85 JAK2 (0.60) AXLJAK2JAK3BRD4BRDT
SCHEMBL3972541 0.84 AXL (0.53) AXLJAK2JAK3BRD4BRDT

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