SCHEMBL30867783

SCHEMBL30867783

COc1cccnc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.51
LMNA P02545 6/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
KDM4E B2RXH2 5/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 2/20 0.49
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
CBFB Q13951 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL7037994 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL6815364 0.88 SMN1; SMN2 (0.58) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL27779619 0.86 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL29894839 0.83 CA1 (0.50) SMN1; SMN2LMNAKDM4ETDP1ALDH1A1
SCHEMBL5702570 0.83 CA1 (0.50) SMN1; SMN2LMNAKDM4ETDP1ALDH1A1
SCHEMBL29095975 0.81 KDM4E (0.48) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL29798862 0.81 KDM4E (0.48) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL20668222 0.81 KDM4E (0.48) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL4886435 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB
SCHEMBL5462166 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
CN-119431458-A Tungsten-oxygen complex, preparation method and application thereof in olefin oxidative cleavage and C-H bond oxidation 江苏科技大学 2025-02-14 CN disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed