SCHEMBL23985264

SCHEMBL23985264

COc1ccc(CN2C(=O)c3cc(Br)cc(NC(=O)OC(C)(C)C)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MKNK2 Q9HBH9 1/20 0.38
PARK7 Q99497 1/20 0.35
TP53 P04637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK9 P50750 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL26712647 0.85 MAPT (0.39) MAPTPARK7TP53KDM4EALDH1A1
SCHEMBL23985836 0.84 MAPT (0.38) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL30305483 0.84 MAPT (0.38) MAPTTP53KDM4ELMNASMN1; SMN2
SCHEMBL30740676 0.83 MAPT (0.39) MAPTPARK7TP53KDM4EALDH1A1
SCHEMBL23985259 0.83 MKNK2 (0.38) MAPTMKNK2TP53KDM4EALDH1A1
SCHEMBL31451738 0.82 MAPT (0.36) MAPTPARK7TP53KDM4EALDH1A1
SCHEMBL30740606 0.82 MAPT (0.38) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL30740617 0.82 MAPT (0.36) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23985260 0.81 MAPT (0.43) MAPTPARK7TP53KDM4EALDH1A1
SCHEMBL30305475 0.81 MAPT (0.43) MAPTPARK7TP53KDM4EALDH1A1

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
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed