SCHEMBL29945847

SCHEMBL29945847

COc1cc2c(Cl)nnc(Cl)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PGK1 P00558 2/20 0.42
PDE3A Q14432 3/20 0.41
PDE3B Q13370 2/20 0.41
PDE5A O76074 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE10A Q9Y233 2/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8857450 1.00 ENPP1 (0.44) ENPP1AURKAALDH1A1MAPTMEN1
SCHEMBL29945735 0.89 KDM4E (0.42) ENPP1AURKAALDH1A1MAPTMEN1
SCHEMBL23526128 0.89 KDM4E (0.42) ENPP1AURKAALDH1A1MAPTMEN1
SCHEMBL29945835 0.83 PDE5A (0.38) ENPP1AURKAALDH1A1MAPTMEN1
SCHEMBL23526090 0.83 PDE5A (0.38) ENPP1AURKAALDH1A1MAPTMEN1
SCHEMBL3062053 0.78 ALDH1A1 (0.55) ENPP1AURKAALDH1A1PGK1SMN1; SMN2
SCHEMBL29945866 0.78 ALDH1A1 (0.55) ENPP1AURKAALDH1A1PGK1SMN1; SMN2
SCHEMBL6588404 0.77 FLT1 (0.53) ALDH1A1MEN1KMT2APDE3APDE3B
SCHEMBL8421521 0.75 NQO1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6590560 0.74 PDE4A (0.64) MAPTMEN1KMT2A

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-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115515939-B Novel phthalazine derivatives having activity of inhibiting exonucleotide pyrophosphatase-phosphodiesterase and their use 谛希诺生物科技有限公司 2024-12-13 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
CN-115515939-A Novel phthalazine derivatives having an inhibitory activity on ectonucleotide pyrophosphatase-phosphodiesterase and their use 谛希诺生物科技有限公司 2022-12-23 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed