SCHEMBL14038964

SCHEMBL14038964

NCCN1CCN(c2nc(C(=O)Nc3ccccc3N3CCC(O)CC3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.54
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47

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
SCHEMBL13322987 0.91 CHEK1 (0.54) CHEK1PIM1PIM3
SCHEMBL13322995 0.88 CHEK1 (0.55) CHEK1PIM1PIM3
SCHEMBL14039007 0.88 CHEK1 (0.56) CHEK1PIM1PIM3
SCHEMBL14038984 0.84 CHEK1 (0.55) CHEK1PIM1PIM3
SCHEMBL13322979 0.84 CHEK1 (0.56) CHEK1PIM1PIM3
SCHEMBL13322975 0.83 CHEK1 (0.56) CHEK1PIM1PIM3
SCHEMBL13323002 0.83 CHEK1 (0.57) CHEK1PIM1PIM3
SCHEMBL13322989 0.83 CHEK1 (0.53) CHEK1
SCHEMBL13322984 0.83 CHEK1 (0.55) CHEK1PIM1PIM3
SCHEMBL14039008 0.82 CHEK1 (0.51) CHEK1PIM1PIM3

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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