SCHEMBL21935669

SCHEMBL21935669

Cc1cc2nc(C(=O)NC3CCOCC3)cc(Cc3ccc(-c4cnn(C)c4)cc3)c2o1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.64
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
BRD4 O60885 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL21873428 0.88 CHRM1 (0.60) CHRM1
SCHEMBL31668927 0.88 CHRM1 (0.60) CHRM1
SCHEMBL21935401 0.88 CHRM1 (0.64) CHRM1CCNCCDK8BRD4WNT1
SCHEMBL21935360 0.87 CHRM1 (0.54) CHRM1BRD4
SCHEMBL6890837 0.86 CHRM1 (0.69) CHRM1CCNCCDK8BRD4
SCHEMBL23673084 0.84 CHRM1 (0.64) CHRM1CCNCCDK8BRD4WNT1
SCHEMBL30428540 0.83 PIM1 (0.47) CHRM1CCNCCDK8
SCHEMBL21873419 0.83 PIM1 (0.47) CHRM1CCNCCDK8
SCHEMBL21935771 0.82 CHRM1 (0.55) CHRM1BRD4
SCHEMBL21935357 0.81 CHRM1 (0.64) CHRM1CCNCCDK8BRD4WNT1

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
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 EP disclosed