SCHEMBL28593136

SCHEMBL28593136

Nc1ccnc(-c2ccccn2)c1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.46
CDK7 P50613 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCE Q02156 1/20 0.46
CAMK2G Q13555 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
RPS6KA1 Q15418 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
CAMKK1 Q8N5S9 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
KDM4E B2RXH2 8/20 0.46
ALOX15 P16050 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL1513867 0.91 KDM4E (0.50) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL517415 0.79 KDM4E (0.50) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL28594849 0.79 KDM4E (0.45) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL30671645 0.78 ULK1 (0.49) ULK1CDK7CDK5PRKCECAMK2G
Dipyridyl SCHEMBL1881386 0.78 KDM4E (0.54) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL7875060 0.78 ULK1 (0.49) ULK1CDK7CDK5PRKCECAMK2G
Dipyridyl SCHEMBL8034233 0.76 KDM4E (0.52) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL2966926 0.76 KDM4E (0.56) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL230110 0.75 KDM4E (0.54) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL30791149 0.75 KDM4E (0.54) ULK1CDK7CDK5PRKCECAMK2G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 CN disclosed
CN-109689665-B Metal complex and electron transport material using the same 大电株式会社 2021-10-01 CN disclosed
CN-112961102-A Metal complex and electron transport material using the same 大电株式会社 2021-06-15 CN disclosed