SCHEMBL24723014

SCHEMBL24723014

Cc1cc(Br)nc(C)c1C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE2A O00408 8/20 0.33
PIK3CA P42336 2/20 0.32
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CSF1R P07333 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL24722961 0.81 CHRM4 (0.31) CHRM4PDE2A
SCHEMBL24723080 0.80 NOS3 (0.35) DAOCHRM4PIK3CACSF1R
SCHEMBL24722863 0.80 DAO (0.33) DAOCHRM4PDE2ACSF1R
SCHEMBL24723066 0.79 ALOX15 (0.36)
SCHEMBL24723271 0.72 DAO (0.36) DAOCHRM4
SCHEMBL24157002 0.71 DAO (0.35) DAOPIK3CACCNCCDK8
SCHEMBL25928325 0.70
SCHEMBL24723084 0.69 DAO (0.34) DAOCHRM4
SCHEMBL24722919 0.69 DAO (0.34) DAOCHRM4CSF1R
SCHEMBL24683585 0.67 ERN1 (0.34) DAO

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
WO-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 WO disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed