SCHEMBL10878740

SCHEMBL10878740

Cc1cccc(N)c1C(=O)Nc1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ ALPL P05186 2/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ F2R P25116 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ KDM4C Q9H3R0 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
SCHEMBL10880639 0.81 ALPL (0.46) TYK2ALPLMAPTHTTALDH1A1
SCHEMBL10877847 0.80 TDP1 (0.51) ALPLHTTALDH1A1KDM4EKMT2A
SCHEMBL2662445 0.77 ALPL (0.61) TYK2ALPLMAPTHTTALDH1A1
SCHEMBL1250218 0.77 ALDH1A1 (0.50) ALPLBTKMAPTALDH1A1KDM4E
SCHEMBL11559491 0.77 KDR (0.51) TYK2ALPLMAPTHTTALDH1A1
SCHEMBL12310841 0.77 MMP2 (0.45) ALPLBTKALDH1A1KDM4EHPGD
SCHEMBL14511140 0.76 POLB (0.43) BTKMAPTALDH1A1KDM4EKMT2A
SCHEMBL10792688 0.76 JAK2 (0.42) JAK1TYK2ALPLBTKALDH1A1
SCHEMBL10937760 0.75 KIT (0.45) ALPLMAPTHTTALDH1A1KDM4E
SCHEMBL11436009 0.74 NPC1 (0.44) PIK3CAMTORMAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086340-B1 3-(1H-TETRAZOL-5-YL)-4(3H)-QUINAZOLINONES THE DOW CHEMICAL COMPANY (US) 1986-04-02 — — EP disclosed
US-4419357-A 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-12-06 — — US disclosed
EP-0086340-A1 3-(1H-tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-08-24 — — EP disclosed
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