SCHEMBL31095476

SCHEMBL31095476

Clc1nc(Cl)c2c(n1)CN(c1ccccc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
C5AR1 P21730 1/20 0.38
MAPT P10636 6/20 0.38
EED O75530 1/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 4/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
CETP P11597 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
SCHEMBL31067224 0.88 C5AR1 (0.43) GRM5C5AR1MAPTEEDKMT2A
SCHEMBL23413092 0.85 P2RX7 (0.42) GRM5MAPTKMT2AKDM4EALDH1A1
SCHEMBL1831804 0.77 C5AR1 (0.60) C5AR1MAPTKMT2AKDM4EALDH1A1
SCHEMBL31095294 0.77 C5AR1 (0.60) C5AR1MAPTKMT2AKDM4EALDH1A1
SCHEMBL31230012 0.73 KDM4E (0.59) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL22435548 0.73 KDM4E (0.59) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL31067183 0.72 MAOB (0.37) C5AR1SMN1; SMN2
SCHEMBL1831603 0.72 C5AR1 (0.61) C5AR1MAPTKMT2AKDM4EALDH1A1
SCHEMBL23074954 0.71 C5AR1 (0.54) C5AR1MAPTKMT2AKDM4EALDH1A1
SCHEMBL1830949 0.71 ALDH1A1 (0.39) MAPTKMT2AKDM4EALDH1A1LMNA

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-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed