SCHEMBL28291279

SCHEMBL28291279

[CH2]c1ncncc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 7/20 0.40
CYP3A4 P08684 7/20 0.40
CYP2D6 P10635 7/20 0.40
CYP2C19 P33261 6/20 0.40
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
ALOX15 P16050 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
TSHR P16473 2/20 0.40
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 2/20 0.39
EGFR P00533 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL5215089 0.77 MAPK9 (0.56) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL30599018 0.77 MAPK9 (0.56) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL2275178 0.76 MAPK9 (0.51) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL31392405 0.75 ATM (0.46) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL1270834 0.75 KDM4E (0.64) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL10205905 0.75 CYP17A1 (0.54) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL25490877 0.71 DGAT1 (0.47) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL13798875 0.71 ATM (0.42) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL17841543 0.71 CYP17A1 (0.57) ATMNCOA1NCOA3MEN1KMT2A
SCHEMBL20466856 0.71 NCOA1 (0.42) ATMNCOA1NCOA3MEN1KMT2A

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-105732594-B Organic material and organic electroluminescent device using the same 机光科技股份有限公司 2019-04-30 CN disclosed