SCHEMBL11898184

SCHEMBL11898184

O=c1[nH]ccc2cnc3ccncc3c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.50
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ STK24 Q9Y6E0 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
SCHEMBL13659576 0.81 PARP1 (0.50) JAK2CHEK1PARP1RPS6KA3MELK
SCHEMBL1159186 0.74 PARP1 (0.53) JAK2KDM4AKDM4BKDM5CKDM4C
SCHEMBL10525022 0.73 PARP1 (0.44) JAK2CHEK1PARP1RPS6KA3MELK
SCHEMBL30692017 0.71 PARP1 (0.53) JAK2KDM4AKDM4BKDM5CKDM4C
SCHEMBL243725 0.71 PARP1 (0.53) JAK2KDM4AKDM4BKDM5CKDM4C
SCHEMBL13659507 0.70 JAK2 (0.43) JAK2KCNH2CHEK1PARP1RPS6KA3
SCHEMBL2458264 0.70 JAK2 (0.56) JAK2KDM4AKDM4BKDM5CKDM4C
SCHEMBL1178698 0.69 KDM4A (0.73) KDM4AKDM4BKDM5CKDM4CKDM5B
Bromide SCHEMBL2246198 0.69 PARP1 (0.52) JAK2KDM4AKDM4BKDM5CKDM4C
SCHEMBL20412216 0.69 CLK1 (0.41) KDM4AKDM4BKDM5CKDM4CKDM5B

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
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 — — EP claimed
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