SCHEMBL19637263

SCHEMBL19637263

COc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 2/20 0.44
ACHE P22303 2/20 0.44
P2RX7 Q99572 1/20 0.42
BRS3 P32247 5/20 0.42
SLC2A1 P11166 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
GBA1 P04062 2/20 0.41
C5AR1 P21730 1/20 0.41
MTOR P42345 1/20 0.41
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL19616741 0.89 C5AR1 (0.47) TLR9TLR7ACHEBRS3CKS1B
SCHEMBL21458581 0.89 ACHE (0.40) TLR9TLR7ACHEP2RX7BRS3
SCHEMBL21458579 0.89 ACHE (0.40) TLR9TLR7ACHEP2RX7BRS3
SCHEMBL25021056 0.87 GPR119 (0.40) TLR9TLR7ACHEP2RX7C5AR1
SCHEMBL19948053 0.87 BRS3 (0.43) TLR9TLR7ACHEBRS3CKS1B
SCHEMBL19947629 0.87 ACHE (0.44) TLR9TLR7ACHEBRS3CKS1B
SCHEMBL29428691 0.85 JAK1 (0.39) ACHEBRS3C5AR1
SCHEMBL26752557 0.85 JAK1 (0.39) ACHEBRS3C5AR1
SCHEMBL19616714 0.85 MTOR (0.43) TLR9TLR7ACHEBRS3CKS1B
SCHEMBL29697506 0.84 KIT (0.50) TLR9TLR7ACHEBRS3CKS1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed