SCHEMBL29479599

SCHEMBL29479599

O=Cc1cc(-c2nc3cc(-c4cnccn4)ccc3o2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37

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
SCHEMBL28706364 1.00 PIM1 (0.45) PIM1PIM2PIK3CBPIK3CAKDM4E
SCHEMBL28701729 0.82 HDAC6 (0.38) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL23012087 0.82 PIM1 (0.56) PIM1PIM2PIK3CBPIK3CAKDM4E
SCHEMBL29479666 0.82 PIM1 (0.56) PIM1PIM2PIK3CBPIK3CAKDM4E
SCHEMBL28714666 0.80 NPC1 (0.38) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL28711069 0.80 NPC1 (0.38) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL31165958 0.80 ESR1 (0.37) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL28935970 0.80 ESR1 (0.37) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL28935931 0.78 UTRN (0.37) PIK3CBPIK3CAKDM4ENPC1RAB9A
SCHEMBL28935977 0.78 PIK3CB (0.37) PIK3CBPIK3CAKDM4ENPC1RAB9A

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-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
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
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