SCHEMBL25828246

SCHEMBL25828246

Cc1nc2cc(C#N)ccc2n1CCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
TP53 P04637 1/20 0.42
ALOX5AP P20292 4/20 0.41
PTGER4 P35408 1/20 0.41
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CXCR3 P49682 1/20 0.39
POLB P06746 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL25302212 0.85 KMT2A (0.47) ALOX5APPTGER4KMT2AJAK2JAK1
SCHEMBL28971006 0.77 KDM4E (0.59) PTGER4KMT2AKDM4EALDH1A1GLA
SCHEMBL5591608 0.77 PTGER4 (0.59) TP53PTGER4KMT2ABRD4KDM4E
SCHEMBL30581464 0.77 ITK (0.45) ALOX5APKDM4EALDH1A1
SCHEMBL25257056 0.77 ITK (0.45) ALOX5APKDM4EALDH1A1
SCHEMBL30581453 0.76 ALOX5AP (0.34) GALR3NR2F2ALOX5APPTGER4BRD4
SCHEMBL30581444 0.75 ITK (0.58) TP53KMT2AKDM4EALDH1A1
SCHEMBL25296139 0.75 ITK (0.58) TP53KMT2AKDM4EALDH1A1
SCHEMBL25299930 0.75 ALDH1A1 (0.46) GALR3NR2F2ALOX5APKMT2APOLB
SCHEMBL30586461 0.75 ALDH1A1 (0.46) GALR3NR2F2ALOX5APKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed