SCHEMBL31296525

SCHEMBL31296525

Clc1nc2ncc(Br)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
DYRK1A Q13627 2/20 0.36
DYRK1B Q9Y463 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL2315498 1.00 HRH3 (0.43) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1
Hydrochloric Acid SCHEMBL2583689 0.98 HRH3 (0.42) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1
SCHEMBL745222 0.80 HRH3 (0.44) HRH3SMN1; SMN2DYRK1AKMT2AHTT
SCHEMBL2318862 0.77 NSD1 (0.47) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1
SCHEMBL7961498 0.77 HRH3 (0.43) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1
SCHEMBL4619770 0.77 SMN1; SMN2 (0.44) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1
SCHEMBL1883389 0.77 LTA4H (0.41) HRH3LRRK2KMT2AALDH1A1MAPT
SCHEMBL1883423 0.77 KDM4E (0.39) HRH3SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL21206782 0.74 KMT2A (0.41) SMN1; SMN2KMT2AHTTALDH1A1MAPT
SCHEMBL6339430 0.73 HRH3 (0.40) HRH3SMN1; SMN2DYRK1ADYRK1BCHEK1

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
CN-112805280-B Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-12-06 CN disclosed