SCHEMBL31317835

SCHEMBL31317835

Cc1cc(-c2cc3cc(-c4cncnc4)ccc3[nH]2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
WNT3A P56704 1/20 0.42
TLR8 Q9NR97 6/20 0.41
TLR7 Q9NYK1 6/20 0.41
DYRK1A Q13627 4/20 0.40
CLK2 P49760 2/20 0.40
CYP19A1 P11511 2/20 0.40
CLK3 P49761 1/20 0.39
CYP1A1 P04798 1/20 0.39
NFATC1 O95644 1/20 0.39
TLR9 Q9NR96 4/20 0.38

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
SCHEMBL21812369 1.00 CDK5 (0.43) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL31317851 0.90 CDK5 (0.50) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL21812348 0.90 CDK5 (0.50) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL21812320 0.88 CDK5 (0.49) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL31317802 0.88 CDK5 (0.49) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL21812467 0.86 TLR8 (0.47) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL31317762 0.86 CDK5 (0.45) CDK5CDK5R1TLR8TLR7DYRK1A
SCHEMBL21812451 0.86 CDK5 (0.45) CDK5CDK5R1TLR8TLR7DYRK1A
SCHEMBL21812394 0.85 WNT3A (0.47) CDK5CDK5R1WNT3ATLR8TLR7
SCHEMBL31317870 0.85 WNT3A (0.47) CDK5CDK5R1WNT3ATLR8TLR7

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-119212698-A NOX inhibitors for the treatment of Albert syndrome 瑞士商卡利迪塔斯疗法瑞士股份有限公司 2024-12-27 CN claimed
CN-119212698-A NOX inhibitors for the treatment of Albert syndrome 瑞士商卡利迪塔斯疗法瑞士股份有限公司 2024-12-27 CN disclosed