SCHEMBL24722730

SCHEMBL24722730

CC(C)c1cnc2c(c1)CC1(CC(N)C1)C(=O)N2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL24722706 0.86
SCHEMBL24722618 0.83 HPGD (0.33)
SCHEMBL24722620 0.74 DDB1 (0.35) PIK3CGSMYD3
SCHEMBL22900720 0.73 NNMT (0.36) PIK3CGSMYD3
SCHEMBL4569786 0.70 ABL1 (0.54) PIK3CGSMYD3
SCHEMBL14050975 0.69 NNMT (0.37) PIK3CGSMYD3
SCHEMBL16941385 0.69 CHEK1 (0.36) PIK3CG
SCHEMBL22900729 0.68 NNMT (0.34)
SCHEMBL16941391 0.67 CYP11B1 (0.35)
SCHEMBL16941450 0.67 MB (0.38) PIK3CGSMYD3

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-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed