SCHEMBL29617706

SCHEMBL29617706

COc1ccncc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
IKBKB O14920 3/20 0.51
CHUK O15111 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL3966553 1.00 SIRT3 (0.59) SIRT3TDP1MKNK1MKNK2IKBKB
Hydrochloric Acid SCHEMBL31208514 0.98 SIRT3 (0.58) SIRT3TDP1MKNK1MKNK2IKBKB
Formic Acid SCHEMBL9954311 0.93 SIRT3 (0.53) SIRT3TDP1MKNK1MKNK2IKBKB
SCHEMBL15664780 0.88 SIRT3 (0.54) SIRT3TDP1MKNK1MKNK2IKBKB
SCHEMBL27569244 0.87 HTT (0.55) SIRT3TDP1MKNK1MKNK2IKBKB
SCHEMBL607011 0.85 MKNK1 (0.57) SIRT3TDP1MKNK1MKNK2IKBKB
Salicylic Acid SCHEMBL31026153 0.84 ALDH1A1 (0.47) SIRT3TDP1MKNK1MKNK2IKBKB
SCHEMBL668446 0.83 KDM4C (0.49) SIRT3TDP1CA12CA1CA2
SCHEMBL30465506 0.83 KDM4C (0.49) SIRT3TDP1CA12CA1CA2
SCHEMBL334854 0.83 CA12 (0.47) SIRT3TDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448510-A1 INHIBITORS OF MET KINASE Kinnate Biopharma Inc. (US) 2024-10-23 EP disclosed
WO-2023114809-A1 INHIBITORS OF MET KINASE KINNATE BIOPHARMA INC. (US) 2023-06-22 WO disclosed
CN-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 CN disclosed
CN-108431007-B Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-06-07 CN disclosed