SCHEMBL23985111

SCHEMBL23985111

COc1ccc(CN2C(=O)c3nc(Cl)cc(Cl)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.38
CHRM5 P08912 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 2/20 0.37
POLB P06746 2/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
TBXA2R P21731 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30305409 1.00 MAPT (0.43) MAPTALDH1A1CHRM5MEN1KMT2A
SCHEMBL30305511 0.91 MAPT (0.42) MAPTALDH1A1CHRM5MEN1KMT2A
SCHEMBL30305504 0.90 MAPT (0.42) MAPTALDH1A1CHRM5MEN1KMT2A
SCHEMBL23985885 0.90 MAPT (0.42) MAPTALDH1A1CHRM5MEN1KMT2A
SCHEMBL25408630 0.86 MAPT (0.41) MAPTALDH1A1CHRM5MEN1KMT2A
SCHEMBL30451216 0.85 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AHCRTR1
SCHEMBL25412808 0.84 MAPT (0.41) MAPTALDH1A1MEN1KMT2AHCRTR1
SCHEMBL26312997 0.84 MAPT (0.41) MAPTALDH1A1MEN1KMT2AHCRTR1
SCHEMBL25411495 0.83 P2RX7 (0.38) MAPTALDH1A1MEN1KMT2ARORC
SCHEMBL30740452 0.83 MAPT (0.39) MAPTALDH1A1CHRM5MEN1KMT2A

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 6 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-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
CN-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 CN disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed