SCHEMBL30169728

SCHEMBL30169728

CCc1nn(CC(=O)O)c(=O)c2ccc(C(C)C)nc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
TSHR P16473 1/20 0.43
CMA1 P23946 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1B1 P15121 4/20 0.36
S1PR2 O95136 3/20 0.36
HTT P42858 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
SCHEMBL24834513 1.00 ALOX15 (0.56) ALOX15TSHRCMA1PTGDR2MAPT
SCHEMBL30169756 0.87 CYP2C19 (0.51) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24834484 0.87 ADORA2A (0.41) ALOX15MAPTAKR1B1
SCHEMBL24834837 0.83 ALOX15 (0.60) ALOX15TSHRCMA1PTGDR2MAPT
SCHEMBL24834534 0.80 NLRP3 (0.51) ALOX15TSHRAKR1B1HTT
SCHEMBL24834578 0.80 ALOX15 (0.56) ALOX15TSHRCMA1PTGDR2MAPT
SCHEMBL30169678 0.80 NLRP3 (0.50) ALOX15RAB9A
SCHEMBL24834486 0.80 NLRP3 (0.50) ALOX15RAB9A
SCHEMBL24834533 0.78 ALOX15 (0.54) ALOX15TSHRCMA1PTGDR2MAPT
SCHEMBL24076918 0.76 ALOX15 (0.65) ALOX15TSHRCMA1PTGDR2MAPT

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-4363418-A1 5-OXO-PYRIDO[2,3-D]PYRIDAZIN-6(5H)-YL ACETAMIDES JANSSEN Pharmaceutica NV (BE) 2024-05-08 EP disclosed
CN-117545757-A 5-oxo-pyrido [2,3-d ] pyridazin-6 (5H) -ylacetamides 詹森药业有限公司 2024-02-09 CN disclosed
WO-2023275230-A1 5-OXO-PYRIDO[2,3-D]PYRIDAZIN-6(5H)-YL ACETAMIDES JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 WO disclosed