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SCHEMBL2355941

SCHEMBL2355941

CC(C)(C)OC(=O)NC1CCC(Nc2ccc3ncc(-c4cnc(NCCC5CC5)nc4)n3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 16/20 0.46
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL12351087 1.00 PIM1 (0.46) PIM1PIM3PIM2MKNK1AAK1
SCHEMBL12350791 0.92 PIM1 (0.49) PIM1PIM3PIM2IKBKB
SCHEMBL12350683 0.91 MERTK (0.52) PIM1PIM3PIM2MKNK1AAK1
SCHEMBL12351050 0.88 PIM1 (0.46) PIM1PIM3PIM2MKNK1IKBKB
SCHEMBL2355850 0.88 PIM1 (0.46) PIM1PIM3PIM2MKNK1IKBKB
SCHEMBL12350795 0.88 PIM1 (0.47) PIM1PIM3PIM2MKNK1IKBKB
SCHEMBL2358068 0.88 PIM1 (0.47) PIM1PIM3PIM2MKNK1IKBKB
SCHEMBL12350723 0.85 PIM1 (0.51) PIM1PIM3PIM2MKNK1KCNH2
SCHEMBL2356754 0.84 PIM1 (0.49) PIM1PIM3PIM2MKNK1KCNH2
SCHEMBL12351021 0.84 PIM1 (0.49) PIM1PIM3PIM2MKNK1KCNH2

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
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 — — WO disclosed