SCHEMBL29403274

SCHEMBL29403274

Clc1ccnc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
CYP1A2 P05177 2/20 0.46
HTT P42858 2/20 0.46
CYP2C19 P33261 1/20 0.46
NR4A2 P43354 1/20 0.43
SOS2 Q07890 1/20 0.43
GAK O14976 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
USP2 O75604 1/20 0.41
XBP1 P17861 1/20 0.41
PTGES O14684 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1809544 1.00 ALK (0.50) ALKCYP1A2HTTCYP2C19NR4A2
SCHEMBL359558 0.84 NT5E (0.50) CYP1A2HTTCYP2C19NR4A2GAK
Hydrochloric Acid SCHEMBL732127 0.82 NT5E (0.49) CYP1A2HTTCYP2C19NR4A2GAK
SCHEMBL29975865 0.81 PTGES (0.39) ALKCYP1A2HTTCYP2C19GAK
SCHEMBL29396540 0.79 NR4A2 (0.66) CYP1A2NR4A2SOS2MAPTKMT2A
SCHEMBL4470963 0.79 ALK (0.53) ALKCYP1A2HTTCYP2C19NR4A2
SCHEMBL29896720 0.79 ALK (0.53) ALKCYP1A2HTTCYP2C19NR4A2
SCHEMBL317202 0.79 NR4A2 (0.66) CYP1A2NR4A2SOS2MAPTKMT2A
SCHEMBL1496309 0.78 ALK (0.49) ALKCYP1A2HTTCYP2C19NR4A2
Bromide SCHEMBL1611912 0.78 NR4A2 (0.59) CYP1A2NR4A2SOS2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151449-A1 BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed
WO-2025064853-A1 RIPK3 INHIBITORS AND METHODS OF USE Momentum Therapeutics, Inc. (US) 2025-03-27 WO disclosed
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022232331-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-11-03 WO disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 EP disclosed