SCHEMBL23035014

SCHEMBL23035014

CN1CCN(c2ccc(-c3cc4c(Oc5cccc(CC#CCN)c5)ncnc4[nH]3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 10/20 0.51
TBK1 Q9UHD2 1/20 0.42
EIF2AK2 P19525 1/20 0.42
GSK3B P49841 1/20 0.42
KIT P10721 4/20 0.41
BTK Q06187 3/20 0.40
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL29538307 1.00 PRMT5 (0.51) PRMT5TBK1EIF2AK2GSK3BKIT
SCHEMBL23035013 0.91 PRMT5 (0.48) PRMT5TBK1EIF2AK2GSK3BKIT
SCHEMBL21484304 0.85 PRMT5 (0.46) PRMT5TBK1KITBTKHRH4
SCHEMBL29538619 0.85 PRMT5 (0.46) PRMT5TBK1KITBTKHRH4
SCHEMBL29538813 0.83 CSF1R (0.44) PRMT5EIF2AK2GSK3BKIT
SCHEMBL21484381 0.82 PRMT5 (0.47) PRMT5TBK1EIF2AK2GSK3BKIT
SCHEMBL21484348 0.80 CSF1R (0.42) PRMT5EIF2AK2GSK3BKIT
SCHEMBL29538433 0.80 CSF1R (0.42) PRMT5EIF2AK2GSK3BKIT
SCHEMBL21484372 0.78 PIM1 (0.32) PRMT5KIT
SCHEMBL29538495 0.78 PIM1 (0.32) PRMT5KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP claimed