SCHEMBL29959239

SCHEMBL29959239

Clc1cc2cnccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CLK1 P49759 3/20 0.46
DYRK1A Q13627 2/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
PRKCZ Q05513 1/20 0.40
MKNK2 Q9HBH9 1/20 0.39
CYP2A6 P11509 1/20 0.38
IMPDH2 P12268 1/20 0.37
CYP19A1 P11511 1/20 0.37
HASPIN Q8TF76 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIM1 P11309 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MELK Q14680 1/20 0.36
CDK5 Q00535 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
SCHEMBL3388614 1.00 MAPT (0.47) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL23976335 0.91 CLK1 (0.46) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL30107523 0.91 CLK1 (0.46) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL152013 0.75 CYP19A1 (0.45) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL16968057 0.75 DYRK1A (0.52) MAPTCLK1DYRK1APRKCZCYP19A1
SCHEMBL1018440 0.75 CLK1 (0.46) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL239390 0.75 CYP2A6 (0.54) CYP2A6KDM4E
SCHEMBL30502940 0.75 CYP2A6 (0.54) CYP2A6KDM4E
SCHEMBL18459079 0.74 MAPT (0.47) MAPTCLK1DYRK1ACSNK1DCSNK1E
SCHEMBL1098583 0.74 PDPK1 (0.59) MAPTCLK1DYRK1ACSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 CN disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
EP-4143178-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 CN disclosed