SCHEMBL16613414

SCHEMBL16613414

CC1(C)C=Cc2c(-c3ccccn3)nc(-n3c4ccccc4c4ccccc43)nc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.37
NPY5R Q15761 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LRRK2 Q5S007 1/20 0.32
TGFBR1 P36897 3/20 0.31
METAP1 P53582 1/20 0.31
BRD4 O60885 1/20 0.30
MAPK14 Q16539 2/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL16613757 0.90 MCL1 (0.34) MCL1NPY5R
SCHEMBL16613774 0.88 NPY5R (0.40) MCL1NPY5RKDM4E
SCHEMBL16613405 0.83 MCL1 (0.35) MCL1
SCHEMBL16613476 0.83 KDM4E (0.34) NPY5RGAAKDM4E
SCHEMBL16613549 0.82 MCL1 (0.38) MCL1NPY5RGAARAB9AKDM4E
SCHEMBL16613413 0.81 KDM4E (0.33) NPY5RKDM4E
SCHEMBL16613503 0.80 TUBB4A (0.35) MAPK14
SCHEMBL16613334 0.79
SCHEMBL16613436 0.79 L3MBTL1 (0.32)
SCHEMBL16613433 0.79

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