SCHEMBL14038952

SCHEMBL14038952

Nc1ccn(-c2nc(C(=O)Nc3ccccc3N3CCC(N)CC3)cs2)c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.51
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL13322819 0.91 CHEK1 (0.49) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13322817 0.83 CHEK1 (0.52) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13322823 0.82 CHEK1 (0.66) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13322872 0.81 CHEK1 (0.56) CHEK1PIM1PIM3
SCHEMBL13322797 0.81 CHEK1 (0.56) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL14207423 0.81 PIM1 (0.56) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13322786 0.81 CHEK1 (0.57) CHEK1PIM1PIM3PRKCAGSK3B
SCHEMBL13322895 0.78 CHEK1 (0.50) CHEK1PIM1PIM3
SCHEMBL13322818 0.78 CHEK1 (0.65) CHEK1PIM1PIM3
SCHEMBL14038995 0.78 CHEK1 (0.54) CHEK1PIM1PIM3PRKCAGSK3B

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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