SCHEMBL16613549

SCHEMBL16613549

CC1(C)C=Cc2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccn3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.38
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALPL P05186 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR1 P32246 1/20 0.33
HTT P42858 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL16613511 0.83 MCL1 (0.35) MCL1
SCHEMBL16613525 0.83 KDM4E (0.36) NPY5RKDM4ELMNATP53MAPK1
SCHEMBL16613414 0.82 MCL1 (0.37) MCL1NPY5RKDM4ENPC1MAPK14
SCHEMBL16613547 0.81 TUBB4A (0.36) KDM4ESMN1; SMN2MAPK14
SCHEMBL16613526 0.81 KDM4E (0.35) NPY5RKDM4ELMNATP53MAPK1
SCHEMBL16613513 0.79 TUBB4A (0.35)
SCHEMBL16613692 0.79 L3MBTL1 (0.31) KDM4ELMNAL3MBTL1
SCHEMBL16613693 0.79 L3MBTL1 (0.33) KDM4ELMNAL3MBTL1
SCHEMBL16613621 0.79 L3MBTL1 (0.31) KDM4ELMNAL3MBTL1
SCHEMBL16613512 0.79 DUSP3 (0.32) KDM4ELMNAL3MBTL1MAPK14

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed