SCHEMBL30290751

SCHEMBL30290751

O=C(Nc1cccc(Nc2ccncc2)c1)c1ccc(F)c(Nc2ccnc3ccc(F)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 7/20 0.53
DNMT3A Q9Y6K1 6/20 0.53
KMT2A Q03164 4/20 0.52
USP2 O75604 2/20 0.52
MAPT P10636 2/20 0.52
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
DNMT3L Q9UJW3 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL24011247 1.00 DNMT1 (0.53) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL25820658 0.94 DNMT1 (0.55) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL24003841 0.93 DNMT1 (0.53) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL24006237 0.92 MAPT (0.60) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL24011037 0.91 DNMT1 (0.52) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL30290879 0.91 DNMT1 (0.52) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL30290771 0.91 DNMT1 (0.61) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL24010920 0.91 DNMT1 (0.61) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL30290960 0.91 DNMT1 (0.62) DNMT1DNMT3AKMT2AUSP2MAPT
SCHEMBL24010213 0.91 DNMT1 (0.62) DNMT1DNMT3AKMT2AUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996721-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 CN disclosed
EP-4146212-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 EP disclosed