SCHEMBL28064440

SCHEMBL28064440

Clc1ccc2c(Br)nc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NR4A2 P43354 3/20 0.44
HTT P42858 1/20 0.41
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40
CHRM1 P11229 1/20 0.40
EPHX2 P34913 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SOS2 Q07890 1/20 0.39
MPO P05164 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CG P48736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL28899983 0.84 HTT (0.49) NR4A2HTTACHEBCHEMPO
SCHEMBL1748521 0.79 POLB (0.50) POLBNR4A2ACHEBCHECHRM1
SCHEMBL29909644 0.79 POLB (0.50) POLBNR4A2ACHEBCHECHRM1
SCHEMBL3314521 0.76 NR4A2 (0.53) POLBNR4A2HTTACHEBCHE
SCHEMBL28220511 0.76 POLB (0.47) POLBNR4A2ACHEBCHECHRM1
SCHEMBL28010173 0.75 MAOA (0.52) HTTACHECHRM1KMT2AALDH1A1
SCHEMBL28129920 0.72 POLB (0.47) POLBNR4A2ACHEBCHECHRM1
SCHEMBL31252837 0.72 POLB (0.47) POLBNR4A2ACHEBCHECHRM1
SCHEMBL2170302 0.72 POLB (0.47) POLBNR4A2ACHEBCHECHRM1
SCHEMBL3973470 0.72 POLB (0.44) POLBNR4A2HTT

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-110028491-A Fibroblast growth factor receptor inhibitor 蓝图药品公司 2019-07-19 CN disclosed
CN-105658642-A Fibroblast growth factor receptor inhibitors 蓝图药品公司 2016-06-08 CN disclosed