SCHEMBL29248802

SCHEMBL29248802

NP(N)(=O)NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 4/20 0.44
▸ CHUK O15111 9/20 0.38
▸ INSR P06213 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ ENPP3 O14638 1/20 0.36
▸ IKBKB O14920 9/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CIT O14578 3/20 0.34

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
SCHEMBL30546582 0.85 ENPP1 (0.39) ENPP1CHUKINSRMAPK8CAMKK2
SCHEMBL26877422 0.82 ADRB2 (0.41) ENPP1CHUKINSRMAPK8CAMKK2
SCHEMBL24600503 0.82 PRKCI (0.43) ENPP1CHUKINSRMAPK8CAMKK2
Hydrochloric Acid SCHEMBL29691541 0.81 PRKCI (0.42) ENPP1CHUKINSRMAPK8CAMKK2
Hydrochloric Acid SCHEMBL26679823 0.81 PRKCI (0.42) ENPP1CHUKINSRMAPK8CAMKK2
SCHEMBL29691620 0.81 ENPP1 (0.56) ENPP1CHUKENPP3IKBKBNEK1
SCHEMBL24600558 0.81 ENPP1 (0.56) ENPP1CHUKENPP3IKBKBNEK1
SCHEMBL24600596 0.80 ENPP1 (0.57) ENPP1CHUKINSRMAPK8CAMKK2
SCHEMBL26679987 0.80 ENPP1 (0.38) ENPP1CHUKINSRMAPK8CAMKK2
SCHEMBL24600509 0.79 ENPP1 (0.37) ENPP1CHUKINSRMAPK8CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 — — CN claimed
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 — — CN disclosed
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