SCHEMBL31317848

SCHEMBL31317848

Cc1cc(-c2cc3cc(-c4ccc5[nH]c(C)nc5c4)ccc3[nH]2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK1A Q13627 1/20 0.38
CYP1A1 P04798 1/20 0.38
ABL1 P00519 1/20 0.38
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 6/20 0.38
TLR9 Q9NR96 4/20 0.38
PRKCI P41743 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21812326 1.00 CDK5 (0.42) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL31317851 0.89 CDK5 (0.50) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL21812348 0.89 CDK5 (0.50) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL21812467 0.85 TLR8 (0.47) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL21812320 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1ACYP1A1TLR8
SCHEMBL31317802 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1ACYP1A1TLR8
SCHEMBL21812394 0.82 WNT3A (0.47) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL21812423 0.82 TLR8 (0.55) CDK5CDK5R1DYRK1ACYP1A1TLR8
SCHEMBL21812425 0.82 CDK5 (0.53) CDK5CDK5R1DYRK1ACYP1A1ABL1
SCHEMBL31317870 0.82 WNT3A (0.47) CDK5CDK5R1DYRK1ACYP1A1ABL1

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
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
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 EP disclosed
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