SCHEMBL11852619

SCHEMBL11852619

Cc1nnc2sc3ccc(C(F)(F)F)cc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 4/20 0.39
▸ PARP2 Q9UGN5 4/20 0.39
▸ PARP15 Q460N3 3/20 0.39
▸ TNKS2 Q9H2K2 3/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ TIPARP Q7Z3E1 1/20 0.39
▸ PARP16 Q8N5Y8 1/20 0.39
▸ PARP12 Q9H0J9 1/20 0.39
▸ PARP11 Q9NR21 1/20 0.39
▸ PARP4 Q9UKK3 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ DYRK1A Q13627 3/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 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
SCHEMBL11533488 0.80 PARP10 (0.35) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11534080 0.80 PARP2 (0.55) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11533095 0.75 PARP10 (0.57) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11536976 0.73 CHEK1 (0.66) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11744096 0.73 PARP2 (0.46) PARP10PARP2PARP15TNKS2TNKS
Hydrochloric Acid SCHEMBL11747896 0.71 CHEK1 (0.64) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11536264 0.70 PARP10 (0.73) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11532017 0.68 PARP2 (0.53) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11535039 0.68 BRPF1 (0.39) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL14054039 0.67 PDE2A (0.45) LMNAKDM4EALDH1A1CYP1A2HPGD

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
US-3937713-A Process for the preparation of s-triazolo[3,4-b]benzothiazoles ELI LILLY AND COMPANY (US) 1976-02-10 — — US claimed
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