SCHEMBL18902075

SCHEMBL18902075

Cc1cnc2c(c1)c(I)cn2[S+]([O-])c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ KAT2B Q92831 1/20 0.30
▸ ELANE P08246 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
SCHEMBL18902127 0.85 JAK2 (0.35) —
SCHEMBL8324439 0.78 MAOB (0.41) BRD4CYP1A2
SCHEMBL8324146 0.78 SCN9A (0.36) BRD4
SCHEMBL19366321 0.75 ALDH1A1 (0.33) —
SCHEMBL8256564 0.70 GSK3B (0.39) —
SCHEMBL17211632 0.70 BRD4 (0.55) BRD4ELANE
SCHEMBL18098819 0.69 DYRK1A (0.37) —
SCHEMBL1050312 0.69 BRD4 (0.64) BRD4
SCHEMBL13616238 0.68 ALDH1A1 (0.38) —
SCHEMBL19366587 0.68 SRC (0.40) —

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-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 — — EP disclosed
EP-2496086-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-05-31 — — EP disclosed
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