SCHEMBL3970118

SCHEMBL3970118

Cc1csc(-c2nc(Nc3cccc(OCCN4CCCC4)c3)nc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.46
YES1 P07947 1/20 0.46
PDPK1 O15530 2/20 0.44
SYK P43405 2/20 0.41
AIMP2 Q13155 2/20 0.41
PDGFRB P09619 1/20 0.41
PRKCQ Q04759 1/20 0.40
LTA4H P09960 1/20 0.39
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
JAK3 P52333 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13883571 0.91 SRC (0.46) SRCYES1PDGFRBJAK2BRD4
SCHEMBL3971227 0.85 TTK (0.44) SRCYES1PDGFRBPRKCQ
SCHEMBL3975392 0.84 PDPK1 (0.43) PDPK1JAK2JAK3ALDH1A1SMN1; SMN2
SCHEMBL4082415 0.84 TTK (0.46) SRCPRKCQJAK2JAK3
SCHEMBL3969173 0.79 TTK (0.40) PDPK1JAK2JAK3L3MBTL1
SCHEMBL3971647 0.79 PDPK1 (0.47) PDPK1PRKCQJAK2BRD4JAK3
SCHEMBL3970201 0.78 MAPK1 (0.41) PDPK1JAK2JAK3L3MBTL1
SCHEMBL3967492 0.78 MAPK1 (0.41) PDPK1JAK2JAK3L3MBTL1
SCHEMBL3969268 0.78 HRH3 (0.46) SRCPDPK1LTA4HJAK2JAK3
SCHEMBL13883580 0.78 AXL (0.46) SRCYES1PDGFRBJAK2BRD4

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