SCHEMBL16613426

SCHEMBL16613426

CC1(C)C=c2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccn3)c2=C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.36
LRRK2 Q5S007 1/20 0.35
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TGFBR1 P36897 5/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
METAP1 P53582 1/20 0.31
BRD4 O60885 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
SCHEMBL16613409 0.90 MCL1 (0.32) MCL1LRRK2NPY5RKDM4ENPC1
SCHEMBL16613486 0.83 MCL1 (0.33) MCL1
SCHEMBL16613498 0.83 KDM4E (0.35) NPY5RKDM4EGAA
SCHEMBL16613340 0.81 KDM4E (0.33) NPY5RKDM4EGAA
SCHEMBL16613418 0.80 TUBB4A (0.36) KDM4E
SCHEMBL16613442 0.79 L3MBTL1 (0.33) KDM4E
SCHEMBL16613425 0.79 KDM4E (0.30) KDM4E
SCHEMBL16613341 0.79 KDM4E (0.30) KDM4E
SCHEMBL16613431 0.78 TUBB4A (0.34)
SCHEMBL16613499 0.78

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