SCHEMBL26697200

SCHEMBL26697200

O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.58
CNR1 P21554 7/20 0.56
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
LMNA P02545 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL21750979 0.91 MAOA (0.61) GRIK1MEN1MAPTKMT2ANPC1
SCHEMBL29757943 0.91 MAOA (0.61) GRIK1MEN1MAPTKMT2ANPC1
SCHEMBL29757932 0.82 RAB9A (0.56) GRIK1CNR1MEN1KMT2ANPC1
SCHEMBL26697246 0.82 KMT2A (0.56) GRIK1MEN1MAPTKMT2ANPC1
SCHEMBL21750906 0.82 RAB9A (0.56) GRIK1CNR1MEN1KMT2ANPC1
SCHEMBL5594862 0.80 CXCR2 (0.62) GRIK1CNR1MEN1MAPTKMT2A
SCHEMBL26697254 0.79 KMT2A (0.72) GRIK1MEN1MAPTKMT2AKDM4E
SCHEMBL3668804 0.79 CNR1 (0.61) GRIK1CNR1MEN1MAPTKMT2A
SCHEMBL26697260 0.79 CA12 (0.64) GRIK1MEN1MAPTKMT2ARAB9A
SCHEMBL420364 0.79 GRIK1 (0.80) GRIK1CNR1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920703-B Quinazoline derivative and preparation method and application thereof 天津济坤医药科技有限公司 2024-01-09 CN disclosed
WO-2023226323-A1 QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天津济坤医药科技有限公司 2023-11-30 WO disclosed
WO-2023226323-A1 QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天津济坤医药科技有限公司 2023-11-30 WO disclosed
CN-114920703-A Quinazoline derivative and preparation method and application thereof 天津济坤医药科技有限公司 2022-08-19 CN disclosed