SCHEMBL3821541

SCHEMBL3821541

COc1ncnc2c1ccn2O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22509747 0.80 ALDH1A1 (0.46) ALDH1A1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL22131673 0.77 ALDH1A1 (0.44) ALDH1A1PRMT5WDR77NPC1RAB9A
SCHEMBL22521396 0.76 ALDH1A1 (0.43) ALDH1A1PRMT5WDR77KDRNPC1
SCHEMBL22509851 0.76 ACACB (0.44) ALDH1A1FLT4KDR
SCHEMBL27966117 0.73 ALDH1A1 (0.41) ALDH1A1PRMT5WDR77NPC1RAB9A
SCHEMBL19692054 0.73 ALDH1A1 (0.58) ALDH1A1FLT4KDRNPC1RAB9A
SCHEMBL20971298 0.73 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL18572036 0.72 SLC22A12 (0.48) ALDH1A1PRMT5WDR77SMN1; SMN2MAPT
SCHEMBL23892409 0.70 PRMT5 (0.37) ALDH1A1PRMT5WDR77NPC1RAB9A
SCHEMBL22131933 0.70 ACACB (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
EP-3341368-B1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-10-06 EP disclosed
WO-2017032840-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed