SCHEMBL30499652

SCHEMBL30499652

CC(C)(C)OC(=O)N1CC=C(c2nnc(-c3cc(Cl)ccc3F)cc2Nc2ccc3ncsc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
GRM5 P41594 7/20 0.41
GRM1 Q13255 7/20 0.41
PDE10A Q9Y233 1/20 0.41
DYRK2 Q92630 3/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
KIT P10721 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL25311741 1.00 CNR1 (0.42) CNR1GRM5GRM1PDE10ADYRK2
SCHEMBL25309653 0.80 GRM1 (0.49) CNR1GRM5GRM1CDK9CCNT1
SCHEMBL31083662 0.80 GRM1 (0.49) CNR1GRM5GRM1CDK9CCNT1
SCHEMBL30499641 0.79 WNT3A (0.39) CNR1GRM5GRM1MKNK1CDK9
SCHEMBL25262809 0.79 WNT3A (0.39) CNR1GRM5GRM1MKNK1CDK9
SCHEMBL25309803 0.77 TGFBR1 (0.37) CDK9CCNT1
SCHEMBL30499653 0.77 TGFBR1 (0.37) CDK9CCNT1
SCHEMBL25869192 0.76 WNT3A (0.37) CNR1GRM5GRM1PDE10AMKNK1
SCHEMBL5661540 0.74 CDK9 (0.56) CNR1PDE10AKEAP1NFE2L2CDK9
SCHEMBL25307609 0.72 LMNA (0.40) CDK9CCNT1KITTRPV1

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-4463448-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-11-20 EP disclosed
CN-118541362-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-08-23 CN disclosed
WO-2023135107-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 WO disclosed