SCHEMBL4043341

SCHEMBL4043341

NC(=O)c1ccnn1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
NR3C2 P08235 1/20 0.42
PDK2 Q15119 2/20 0.39
PDK1 Q15118 1/20 0.39
BRD4 O60885 1/20 0.35
BACE1 P56817 2/20 0.34
HCAR3 P49019 1/20 0.34
LMNA P02545 1/20 0.33
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
AURKB Q96GD4 1/20 0.33
CCNC P24863 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
SCHEMBL26396444 0.93 NR3C2 (0.46) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL26416283 0.93 NR3C2 (0.49) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL14335305 0.91 NR3C2 (0.48) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL29629510 0.88 MEN1 (0.61) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL14335095 0.87 GAA (0.62) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL17437926 0.85 HCAR3 (0.41) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL22125893 0.83 OPRM1 (0.40) KMT2APIK3CD
SCHEMBL25660320 0.83 SMN1; SMN2 (0.41) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL14335158 0.83 KMT2A (0.54) KMT2ANR3C2
SCHEMBL23367056 0.82 KMT2A (0.39) KMT2APKMMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133426-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
CN-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 CN disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed