SCHEMBL26697218

SCHEMBL26697218

Cn1ccc2cc(NC(=O)Nc3ccc(O)cc3Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HTR2B P41595 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2C P28335 4/20 0.54
MAOB P27338 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL29757929 1.00 MAPT (0.55) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL28516762 0.82 MAOB (0.74) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL9544360 0.77 MAPT (0.65) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL12110170 0.76 HTR2B (0.64) MAPTHTR2BMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL9400672 0.76 HTR2C (0.65) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL9400638 0.76 HTR2B (0.67) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL26697246 0.75 KMT2A (0.56) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL1148605 0.75 HTR2B (0.62) MAPTHTR2BMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL9400513 0.75 HTR2C (0.67) MAPTHTR2BMEN1TP53CYP1A2
SCHEMBL30504235 0.75 MAPT (0.62) MAPTHTR2BMEN1TP53CYP1A2

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
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