SCHEMBL24699331

SCHEMBL24699331

C[C@H]1CCN1c1nc2c(c(-c3ccc(-c4ccccc4)nc3)n1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTOR P42345 6/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAP3K12 Q12852 1/20 0.35
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FPR1 P21462 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30015772 1.00 MEN1 (0.39) MEN1KMT2AMTORKDM4EMAPT
SCHEMBL24698168 0.88 HRH2 (0.43) MEN1KMT2AKDM4EMAPTHRH2
SCHEMBL29134842 0.84 PIK3CA (0.41) MTORMAP3K12HRH2HRH3
SCHEMBL24699439 0.84 PIK3CA (0.41) MTORMAP3K12HRH2HRH3
SCHEMBL24698018 0.82 HRH3 (0.48) MEN1KMT2AMTORKDM4EMAPT
SCHEMBL30015307 0.82 HRH3 (0.48) MEN1KMT2AMTORKDM4EMAPT
SCHEMBL24697950 0.81 MAP3K12 (0.49) MAP3K12
SCHEMBL24697693 0.79 MEN1 (0.34) MEN1KMT2AKDM4EMAP3K12HRH2
SCHEMBL24698700 0.79 MTOR (0.38) MTORKDM4EHRH3
SCHEMBL30017019 0.79 MTOR (0.38) MTORKDM4EHRH3

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
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed