SCHEMBL3972550

SCHEMBL3972550

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1.Cc1nc(C)c(-c2ccc(-c3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3C)s2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.44
JAK2 O60674 7/20 0.41
JAK3 P52333 7/20 0.41
BRD4 O60885 3/20 0.41
BRDT Q58F21 2/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
SLC2A1 P11166 1/20 0.40
SRC P12931 12/20 0.40
JAK1 P23458 4/20 0.40
YES1 P07947 4/20 0.40
KDR P35968 4/20 0.40
EPHB4 P54760 4/20 0.40
PDGFRB P09619 4/20 0.40
ABL1 P00519 3/20 0.40
LCK P06239 3/20 0.40
LYN P07948 3/20 0.40
TYK2 P29597 3/20 0.40
RET P07949 3/20 0.40
EGFR P00533 2/20 0.40

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
SCHEMBL3969938 0.87 AXL (0.56) AXLJAK2JAK3BRD4BRDT
SCHEMBL3967639 0.85 AXL (0.39) AXLJAK2JAK3BRD4JAK1
SCHEMBL3971086 0.82 AXL (0.56) AXLJAK2JAK3BRD4BRDT
SCHEMBL3965200 0.82 AXL (0.41) AXLJAK2JAK3BRD4BRDT
SCHEMBL3971085 0.81 AXL (0.51) AXLJAK2JAK3BRD4BRDT
SCHEMBL3960896 0.80 CCNA2 (0.46) AXLJAK2JAK3BRD4BRDT
SCHEMBL3969931 0.79 CCNT1 (0.45) AXLJAK2JAK3JAK1KDR
SCHEMBL13881584 0.78 AXL (0.56) AXLJAK2JAK3BRD4BRDT
SCHEMBL13881557 0.78 AXL (0.60) AXLJAK2JAK3BRD4BRDT
SCHEMBL3969743 0.77 AXL (0.42) AXLJAK2JAK3BRD4JAK1

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