SCHEMBL17033820

SCHEMBL17033820

c1cc(-c2ccncc2)nc(-n2c3ccccc3c3c4cc5c6ccccc6c6ccccc6n5c4ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
NPC1 O15118 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL17033819 0.93 MEN1 (0.36) POLBKMT2AKDM4ERAB9A
SCHEMBL17033785 0.89 CYP2A6 (0.38) MAPTCYP2C9CYP2C19NPC1RAB9A
SCHEMBL17033566 0.88 MKNK1 (0.34) MKNK1MKNK2MAPTCYP1A2CYP3A4
SCHEMBL17033484 0.87 MKNK1 (0.37) MKNK1MKNK2MAPTCYP1A2CYP3A4
SCHEMBL16066249 0.86 KDM4E (0.33) MKNK1MKNK2MAPTCYP1A2CYP3A4
SCHEMBL16066379 0.86 MKNK1 (0.35) MKNK1MKNK2MAPTCYP1A2CYP3A4
SCHEMBL17033829 0.86 KDM4E (0.33) MKNK1MKNK2POLBKDM4E
SCHEMBL17033790 0.86 CCR1 (0.39) MKNK1MKNK2MAPTCYP1A2POLB
SCHEMBL16066872 0.85 MKNK1 (0.34) MKNK1MKNK2MAPTCYP1A2CYP3A4
SCHEMBL16066214 0.85 MKNK1 (0.37) MKNK1MKNK2MAPTCYP1A2CYP3A4

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed