SCHEMBL18098819

SCHEMBL18098819

[O-][S+](c1ccccc1)n1cc(I)c2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ HASPIN Q8TF76 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ NFATC1 O95644 1/20 0.31
▸ CDK2 P24941 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL18098820 0.73 PDPK1 (0.48) DYRK1AKCNH2KDM4CGSK3BNFATC1
SCHEMBL22755778 0.72 TGFBR1 (0.61) DYRK1AGSK3BCDK2DYRK1B
SCHEMBL18902075 0.69 BRD4 (0.34) —
SCHEMBL18902127 0.69 JAK2 (0.35) —
SCHEMBL15388885 0.66 HASPIN (0.61) DYRK1AKCNH2HASPINGSK3BNFATC1
SCHEMBL254249 0.66 HTR6 (0.52) DYRK1A
SCHEMBL4851744 0.66 DYRK1A (0.49) DYRK1AKCNH2HASPINKDM4CGSK3B
SCHEMBL21917173 0.63 DYRK1A (0.43) DYRK1AKCNH2HASPINKDM4CGSK3B
SCHEMBL21917358 0.63 DYRK1A (0.62) DYRK1AKCNH2HASPINGSK3BNFATC1
SCHEMBL30461707 0.63 DYRK1A (0.62) DYRK1AKCNH2HASPINGSK3BNFATC1

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
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 — — EP disclosed
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