SCHEMBL26546527

SCHEMBL26546527

CC(C)Nc1nc(C(=O)C(C)C)c(C(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CDK5 Q00535 3/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CCNE1 P24864 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL8142798 0.69 CDK2 (0.42) CDK2CCNA2MAPTALDH1A1HSD17B10
SCHEMBL23682669 0.69 GFER (0.36) CDK2CCNA2MAPTALDH1A1SMN1; SMN2
SCHEMBL14099757 0.68 L3MBTL1 (0.44) CDK2CCNA2MAPTSMN1; SMN2LMNA
SCHEMBL1841799 0.67 L3MBTL1 (0.46) MAPTALDH1A1HSD17B10ALOX15CYP1A2
SCHEMBL23815725 0.66 SHMT2 (0.39) CDK2CCNA2MAPTALDH1A1CDK5
SCHEMBL2880579 0.66 COPS5 (0.35) —
SCHEMBL23815751 0.65 GFER (0.36) CDK2CCNA2ALDH1A1LMNAGAA
SCHEMBL17248050 0.64 MAPK14 (0.50) CDK2ALDH1A1CDK5KDM4ESMN1; SMN2
SCHEMBL8145446 0.64 GAA (0.63) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL2878486 0.63 TNIK (0.49) CDK2CCNA2MAPTALDH1A1CDK5

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
WO-2023244682-A1 METHODS AND COMPOUNDS FOR MODULATING INHERITED GENETIC DISEASES Design Therapeutics, Inc. (US) 2023-12-21 — — WO disclosed
WO-2023192642-A2 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2023-10-05 — — WO disclosed
Send feedback