SCHEMBL14038935

SCHEMBL14038935

O=C(Nc1cccnc1N1CCNCC1)c1csc(-n2cc3ccccc3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.56

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
SCHEMBL13156171 0.87 CHEK1 (0.70) CHEK1
SCHEMBL13322890 0.84 CHEK1 (0.40) CHEK1
SCHEMBL13155022 0.83 CHEK1 (0.71) CHEK1
SCHEMBL13322785 0.81 CHEK1 (0.57) CHEK1
SCHEMBL14328596 0.79 CHEK1 (0.60) CHEK1
SCHEMBL13322773 0.79 CHEK1 (0.40) CHEK1
SCHEMBL13322850 0.79 CHEK1 (0.43) CHEK1
SCHEMBL13322854 0.79 CHEK1 (0.62) CHEK1
SCHEMBL13322851 0.78 CHEK1 (0.53) CHEK1
SCHEMBL13322845 0.78 CHEK1 (0.51) CHEK1

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
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
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