SCHEMBL3966481

SCHEMBL3966481

c1ccc2sc(-c3nc(Nc4ccc(OCCN5CCCC5)cc4)nc4[nH]ccc34)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.48
AXL P30530 4/20 0.46
INSR P06213 2/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
IKBKG Q9Y6K9 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
PTK2 Q05397 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SRC P12931 2/20 0.43
YES1 P07947 1/20 0.43
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
LTA4H P09960 4/20 0.43
ITGA4 P13612 1/20 0.42

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
SCHEMBL13883619 0.89 AXL (0.43) BACE1AXLINSRSRCYES1
SCHEMBL13883460 0.88 BACE1 (0.40) BACE1AXLINSRJAK2JAK3
SCHEMBL3969296 0.88 BACE1 (0.40) BACE1AXLINSRJAK2JAK3
SCHEMBL3975437 0.84 CDK1 (0.42) IKBKBCHUKIKBKGHRH3KDR
SCHEMBL13883580 0.84 AXL (0.46) BACE1AXLINSRJAK2JAK3
SCHEMBL3969268 0.84 HRH3 (0.46) BACE1AXLJAK2JAK3PTK2
SCHEMBL13883585 0.84 AXL (0.40) BACE1AXLSRCYES1KDR
SCHEMBL3964683 0.83 AXL (0.48) BACE1AXLINSRJAK2JAK3
SCHEMBL13883618 0.83 JAK2 (0.43) BACE1AXLINSRJAK2JAK3
SCHEMBL13883716 0.83 AXL (0.45) AXLJAK2JAK3SRCYES1

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-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO claimed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed