SCHEMBL25818163

SCHEMBL25818163

CCCCc1nc2c[n+](OC)c3cc(C)sc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
STING1 Q86WV6 6/20 0.38
BRD4 O60885 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 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
SCHEMBL25255500 0.90 TLR7 (0.39) DYRK1ATLR7STING1BRD4CYP3A4
SCHEMBL30484354 0.90 TLR7 (0.39) DYRK1ATLR7STING1BRD4CYP3A4
SCHEMBL25818232 0.86 TLR7 (0.40) DYRK1ATLR7STING1BRD4TP53
SCHEMBL25302351 0.83 TLR7 (0.41) DYRK1ATLR7STING1BRD4CYP3A4
SCHEMBL30586090 0.83 TLR7 (0.41) DYRK1ATLR7STING1BRD4CYP3A4
SCHEMBL25303757 0.78 TLR7 (0.41) TLR7STING1CYP3A4CYP2D6CYP2C9
SCHEMBL25297292 0.78 TLR7 (0.55) TLR7
SCHEMBL30484371 0.78 TLR7 (0.41) TLR7STING1CYP3A4CYP2D6CYP2C9
SCHEMBL25256105 0.76 TLR7 (0.40) DYRK1ATLR7STING1CYP3A4CYP2D6
SCHEMBL25962881 0.74 TLR7 (0.49) TLR7TP53LMNASMN1; SMN2

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed