SCHEMBL17102743

SCHEMBL17102743

c1ccc(Nc2cccnc2-c2ccccn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPK10 P53779 1/20 0.66
GFER P55789 1/20 0.66
MECP2 P51608 1/20 0.47
KCNN1 Q92952 1/20 0.47
KCNN2 Q9H2S1 1/20 0.47
MBD2 Q9UBB5 1/20 0.47
KCNN3 Q9UGI6 1/20 0.47
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 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
SCHEMBL3279571 0.80 MEN1 (1.00) MEN1KMT2AMAPK10GFERGAA
SCHEMBL30496474 0.80 SYK (0.41) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL16388214 0.80 SYK (0.41) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL31627855 0.78 KDM4E (0.48) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL2501726 0.74 KMT2A (0.70) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL5771649 0.74 MAPK10 (0.70) MEN1KMT2AMAPK10GFERLMNA
SCHEMBL18936841 0.73 MEN1 (0.53) MEN1KMT2AMAPK10GFERMECP2
SCHEMBL29391624 0.73 KMT2A (0.76) MEN1KMT2AMAPK10GFERMECP2
SCHEMBL221242 0.73 KMT2A (0.76) MEN1KMT2AMAPK10GFERMECP2
SCHEMBL30167997 0.73 MEN1 (0.76) MEN1KMT2AMAPK10GFERKDR

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
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed