SCHEMBL30501971

SCHEMBL30501971

CC(C)(C)OC(=O)N1CCN(c2cc3cc[nH]c3cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 7/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
LRRK2 Q5S007 1/20 0.45
RET P07949 4/20 0.44
KIT P10721 1/20 0.43
TGFBR1 P36897 1/20 0.43
WNT3A P56704 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
SCHEMBL22576378 1.00 CKS1B (0.53) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL31254501 0.81 CKS1B (0.63) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL1480048 0.81 CKS1B (0.63) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL18163270 0.81 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL1537817 0.80 MAPT (0.53) GPR119TGFBR1
SCHEMBL22576086 0.80 JAK2 (0.49) GPR119DDB1CRBNTGFBR1
SCHEMBL30456898 0.80 JAK2 (0.49) GPR119DDB1CRBNTGFBR1
SCHEMBL22766247 0.80 CKS1B (0.56) CKS1BSKP1SKP2RET
SCHEMBL29819704 0.80 CKS1B (0.56) CKS1BSKP1SKP2RET
SCHEMBL16249699 0.80 PTPN11 (0.52) CKS1BSKP1SKP2MAP4K4GPR119

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
CN-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed