SCHEMBL24600509

SCHEMBL24600509

O=c1ccc2c(-c3ccc(CNSI)cc3)ccnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.37
▸ CHUK O15111 9/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ INSR P06213 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ IKBKB O14920 9/20 0.36
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ROCK1 Q13464 2/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PRKACA P17612 1/20 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
SCHEMBL24600504 0.83 PDE3B (0.36) ENPP1CHUKMAPK8INSRCAMKK2
SCHEMBL26877422 0.83 ADRB2 (0.41) ENPP1CHUKMAPK8INSRCAMKK2
SCHEMBL26679987 0.81 ENPP1 (0.38) ENPP1CHUKMAPK8INSRCAMKK2
SCHEMBL24600503 0.80 PRKCI (0.43) ENPP1CHUKMAPK8INSRCAMKK2
Hydrochloric Acid SCHEMBL29691541 0.79 PRKCI (0.42) ENPP1CHUKMAPK8INSRCAMKK2
Hydrochloric Acid SCHEMBL26679823 0.79 PRKCI (0.42) ENPP1CHUKMAPK8INSRCAMKK2
SCHEMBL24600558 0.79 ENPP1 (0.56) ENPP1CHUKIKBKBENPP3ROCK1
SCHEMBL29691620 0.79 ENPP1 (0.56) ENPP1CHUKIKBKBENPP3ROCK1
SCHEMBL29248802 0.79 ENPP1 (0.44) ENPP1CHUKMAPK8INSRCAMKK2
SCHEMBL26679935 0.79 IKBKB (0.46) ENPP1CHUKMAPK8INSRCAMKK2

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
EP-4276100-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-11-15 — — EP disclosed
WO-2022146022-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF 주식회사 티씨노바이오사이언스 2022-07-07 — — WO disclosed
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