SCHEMBL25147176

SCHEMBL25147176

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)c3sc4cc5c(cc4c3n2)c2ccccc2n5-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
PIK3CA P42336 1/20 0.39
ABCG2 Q9UNQ0 5/20 0.35
PRKCI P41743 2/20 0.32
ACP1 P24666 2/20 0.32
KMT2A Q03164 2/20 0.31
IL1R1 P14778 1/20 0.31
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL26743206 0.94 KDM4E (0.37) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL19247817 0.92 ATM (0.39) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL19247897 0.91 ATM (0.40) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL19247816 0.88 PIK3CA (0.38) PIK3CAABCG2PRKCIACP1ALDH1A1
SCHEMBL26743177 0.86 KDM4E (0.36) L3MBTL1KDM4EATMPIK3CAPRKCI
SCHEMBL20670231 0.86 LIMK1 (0.41) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL26743205 0.85 PIK3CA (0.36) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL18273056 0.84 ATM (0.40) L3MBTL1KDM4EATMPIK3CAKMT2A
SCHEMBL17030418 0.84 PIK3CA (0.39) L3MBTL1KDM4EATMPIK3CAABCG2
SCHEMBL16905647 0.84 ATM (0.40) L3MBTL1KDM4EATMPIK3CAKMT2A

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-2023061998-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-20 WO disclosed