SCHEMBL3975437

SCHEMBL3975437

c1ccc2sc(-c3nc(Nc4ccc(CN5CCCCC5)cc4)nc4[nH]ccc34)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.42
KDR P35968 2/20 0.42
IKBKB O14920 5/20 0.41
CHUK O15111 4/20 0.41
IKBKG Q9Y6K9 4/20 0.41
ACP1 P24666 3/20 0.40
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
JAK1 P23458 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCZ Q05513 1/20 0.38
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13883504 0.91 TTK (0.45) KDRACP1PRKCQPRKCDHRH3
Hydrochloric Acid SCHEMBL3974362 0.90 TTK (0.44) KDRACP1PRKCQPRKCDHRH3
SCHEMBL3966481 0.84 BACE1 (0.48) KDRIKBKBCHUKIKBKGHRH3
SCHEMBL13883557 0.81 IKBKB (0.40) IKBKBCHUKIKBKGJAK1L3MBTL1
SCHEMBL13883724 0.81 AXL (0.47) PRKCQPRKCDTTK
SCHEMBL3967492 0.81 MAPK1 (0.41) CDK1KDRACP1HRH3JAK1
SCHEMBL3970201 0.81 MAPK1 (0.41) CDK1KDRACP1HRH3JAK1
SCHEMBL3970857 0.80 TTK (0.45) KDRPRKCQPRKCDTTK
SCHEMBL3969173 0.80 TTK (0.40) CDK1KDRACP1JAK1MAPK1
SCHEMBL3970156 0.79 TTK (0.61) JAK1TTK

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