SCHEMBL4613841

SCHEMBL4613841

CN1CCC(Nc2cc[nH]c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
AXL P30530 1/20 0.41
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KDM1A O60341 1/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
IDH2 P48735 1/20 0.38
KAT2B Q92831 1/20 0.38
RET P07949 1/20 0.38
IKBKB O14920 1/20 0.38
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ITK Q08881 1/20 0.37
PABPC1 P11940 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6534113 0.86
SCHEMBL4613736 0.82 JAK2 (0.44) POLBJAK1JAK2JAK3KDM1A
SCHEMBL4612918 0.81 POLB (0.39) POLBCARM1PRMT6KDM4E
SCHEMBL3401196 0.81 KDM4E (0.41) POLBKDM4E
SCHEMBL30375268 0.80 KAT2B (0.47) POLBKAT2B
SCHEMBL4613663 0.78 ADORA2A (0.38) POLBJAK2JAK3BRD4RET
SCHEMBL29883407 0.78 ADORA2A (0.38) POLBJAK2JAK3BRD4RET
SCHEMBL29884529 0.78 MAPK1 (0.42) POLBCARM1PRMT6JAK1JAK2
SCHEMBL2674960 0.77 POLB (0.68) POLBCARM1PRMT6KDM1AIDH2
SCHEMBL1409682 0.76 POLB (0.71) POLBCARM1PRMT6AXLKDM1A

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
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed