SCHEMBL31389581

SCHEMBL31389581

CCOC(=O)c1nc2c(s1)C(C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.39
PDK1 Q15118 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
CXCR4 P61073 3/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL14172831 0.83 ADORA3 (0.42) PDK1KDM4EADORA3ALDH1A1MAPT
SCHEMBL31389555 0.82 PDK1 (0.36) PDK1KDM4EADORA3ALDH1A1MAPT
SCHEMBL31389475 0.78 CXCR2 (0.44) CXCR2PDK1KDM4EALDH1A1MAPT
SCHEMBL8005977 0.76 PARP1 (0.50) PDK1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12922693 0.76 PARP1 (0.53) PDK1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14172833 0.74 ALDH1A1 (0.37) PDK1KDM4EADORA3ALDH1A1MAPT
SCHEMBL31389424 0.73 KDM4E (0.50) PDK1KDM4EALDH1A1MAPTRAB9A
SCHEMBL14172835 0.72 ALDH1A1 (0.43) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2429975 0.72 ALDH1A1 (0.46) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18723840 0.71 P2RX7 (0.40)

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed