SCHEMBL30367172

SCHEMBL30367172

CC(C)C(=O)N1CCC(c2nc(-c3ccc(N)cc3)n3c(N)nccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
BTK Q06187 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DGAT1 O75907 1/20 0.35
FAAH O00519 1/20 0.34
NAMPT P43490 2/20 0.34
MAP4K4 O95819 1/20 0.33
PIK3CD O00329 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC9A1 P19634 1/20 0.32

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
SCHEMBL30289599 0.82 BTK (0.48) BTKSMN1; SMN2
SCHEMBL30289587 0.82 BTK (0.48) BTKSMN1; SMN2
SCHEMBL30289601 0.77 BTK (0.46) BTK
SCHEMBL30499550 0.77 TYRO3 (0.40) BTKMAPK8MAPK9MAPK10
SCHEMBL30289648 0.74 TNK2 (0.45) BTK
SCHEMBL19877993 0.73 BTK (0.62) BTK
SCHEMBL19877417 0.73 BTK (0.62) BTK
SCHEMBL29628112 0.73 BTK (0.62) BTK
SCHEMBL30289644 0.73 BTK (0.47) BTK
SCHEMBL23997883 0.72 LRRK2 (0.36) MAPK8MAPK9

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
CN-116437918-A Pyrazolopyridine compounds as TAM inhibitors 上海德琪医药科技有限公司 2023-07-14 CN disclosed
WO-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed