SCHEMBL28320796

SCHEMBL28320796

Clc1ccc(-c2ccnc(-c3ccccc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.72
MEN1 O00255 8/20 0.72
MAPT P10636 7/20 0.72
MAP4K4 O95819 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.57
KMO O15229 1/20 0.56
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMO Q99835 2/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
PTK2B Q14289 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
AURKA O14965 1/20 0.52
HSP90AA1 P07900 1/20 0.52
PRKACA P17612 1/20 0.52
ADORA2A P29274 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51

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
SCHEMBL28319645 1.00 KMT2A (0.72) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL25296052 0.98 KMT2A (0.70) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL29180170 0.98 KMT2A (0.70) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL19933569 0.92 MEN1 (0.82) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL29730468 0.88 KMT2A (0.61) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL18732403 0.88 KMT2A (0.61) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL18731741 0.88 KMT2A (0.61) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL21003801 0.88 KMT2A (0.61) KMT2AMEN1MAPTMAP4K4SMN1; SMN2
SCHEMBL190954 0.88 AURKA (0.63) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL29620532 0.88 AURKA (0.63) KMT2AMEN1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693499-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-03-12 CN disclosed
CN-114555566-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-05-27 CN disclosed
CN-108409672-B Method for synthesizing polysubstituted pyrimidine under catalysis of copper salt 安徽师范大学 2020-01-10 CN disclosed
CN-106496127-B A kind of preparation method of polysubstituted pyrimidine 苏州大学 2019-09-27 CN disclosed