SCHEMBL29935957

SCHEMBL29935957

COc1cnc(C#N)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
HPGDS O60760 1/20 0.38
PLA2G2A P14555 1/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ADORA1 P30542 2/20 0.36
USP8 P40818 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL26697698 1.00 PIK3CD (0.51) PIK3CDHPGDSPLA2G2AMAPTKMT2A
SCHEMBL362305 0.79 SRC (0.39) HPGDSMAPTKMT2AALDH1A1USP8
SCHEMBL10325263 0.79 HPGDS (0.39) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL1846308 0.79 HPGDS (0.39) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL18036083 0.78 CYP11B1 (0.44) PIK3CDHPGDSMAPTALDH1A1USP8
SCHEMBL1006358 0.78 MAPT (0.46) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL30976940 0.77 PIK3CD (0.47) PIK3CDKMT2AALDH1A1MEN1ADORA1
SCHEMBL23482226 0.75 USP8 (0.37) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL23458907 0.75 HPGDS (0.36) PIK3CDHPGDSMAPTALDH1A1USP8
SCHEMBL29919284 0.75 HPGDS (0.36) PIK3CDHPGDSMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 CN disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 CN disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 WO disclosed