SCHEMBL23033310

SCHEMBL23033310

CCOC(=O)c1cc(-c2nc3cc(-c4cnccn4)ccc3o2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ CDC7 O00311 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ MAPT P10636 9/20 0.43
▸ KDM4E B2RXH2 8/20 0.43
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ UTRN P46939 2/20 0.41

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
SCHEMBL29479692 1.00 PIM1 (0.44) PIM1PIM2CDC7DBF4MAPT
SCHEMBL23012087 0.84 PIM1 (0.56) PIM1PIM2MAPTKDM4ENPC1
SCHEMBL29479666 0.84 PIM1 (0.56) PIM1PIM2MAPTKDM4ENPC1
SCHEMBL29479837 0.84 RAB9A (0.41) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL23012965 0.84 RAB9A (0.41) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL23012200 0.83 JMJD6 (0.48) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL29479805 0.83 JMJD6 (0.48) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL28707215 0.83 MAPT (0.40) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL29479806 0.83 MAPT (0.40) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL29479727 0.82 MAPT (0.41) MAPTKDM4ENPC1RAB9AMAPK1

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-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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