SCHEMBL22086809

SCHEMBL22086809

Nc1ccnc(Nc2ncccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
MAPK10 P53779 4/20 0.43
ASIC3 Q9UHC3 1/20 0.41
KARS1 Q15046 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
ABL1 P00519 3/20 0.39
BCR P11274 2/20 0.39
SRC P12931 2/20 0.39
PLAU P00749 2/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 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
SCHEMBL30216764 0.78 KCNH2 (0.58) KCNH2SCN5ASCN9AJAK2TYK2
SCHEMBL23588551 0.78 KCNH2 (0.58) KCNH2SCN5ASCN9AJAK2TYK2
SCHEMBL4665722 0.76 KCNH2 (0.64) KCNH2SCN5ASCN9AMAPK10KDM4E
SCHEMBL3951508 0.76 KDR (0.50) KARS1ABL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16926594 0.76 GRM4 (0.54) KCNH2SCN5ASCN9AJAK2TYK2
SCHEMBL24010544 0.74 KCNH2 (0.58) KCNH2SCN5ASCN9AJAK2TYK2
SCHEMBL29920007 0.73 CDK5 (0.45) SCN9AJAK2TYK2MAPK10ASIC3
SCHEMBL28963294 0.73 CDK5 (0.45) SCN9AJAK2TYK2MAPK10ASIC3
SCHEMBL20796123 0.73 KCNH2 (0.45) KCNH2SCN5ASCN9AJAK2TYK2
SCHEMBL32674561 0.73 MAPK10 (0.53) KCNH2SCN5ASCN9AMAPK10ASIC3

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
EP-2977378-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-06-10 EP disclosed