SCHEMBL23035013

SCHEMBL23035013

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.48
KIT P10721 5/20 0.43
BTK Q06187 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
EIF2AK2 P19525 1/20 0.40
GSK3B P49841 1/20 0.40
EGFR P00533 5/20 0.40
ERBB2 P04626 3/20 0.40
FLT3 P36888 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
SCHEMBL23035014 0.91 PRMT5 (0.51) PRMT5KITBTKTBK1EIF2AK2
SCHEMBL29538307 0.91 PRMT5 (0.51) PRMT5KITBTKTBK1EIF2AK2
SCHEMBL21484302 0.86 PRMT5 (0.43) PRMT5KITBTKTBK1EGFR
SCHEMBL21484347 0.82 KDR (0.40) PRMT5KITEIF2AK2GSK3BEGFR
SCHEMBL21484381 0.79 PRMT5 (0.47) PRMT5KITBTKTBK1EIF2AK2
SCHEMBL21484369 0.79 KIT (0.33) KITBTKEGFRERBB2FLT3
SCHEMBL21484374 0.78 ERBB2 (0.61) BTKEGFRERBB2FLT3
SCHEMBL21484380 0.78 KIT (0.48) PRMT5KITBTKEIF2AK2GSK3B
SCHEMBL21484329 0.77 ERBB2 (0.47) PRMT5BTKEIF2AK2GSK3BEGFR
SCHEMBL21484304 0.77 PRMT5 (0.46) PRMT5KITBTKTBK1

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