SCHEMBL9968097

SCHEMBL9968097

CC(C)Cc1cnc2c3ncccc3n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
GCK P35557 1/20 0.35
CYP3A4 P08684 1/20 0.34
ABCC1 P33527 1/20 0.34
ALOX5AP P20292 2/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL2628342 0.76 ADORA3 (0.54) ADORA3ADORA2ACYP3A4MAPK14LMNA
SCHEMBL9968108 0.75 PDE10A (0.44) ADORA3ADORA2ACYP3A4ALOX5APMAPK14
SCHEMBL27019878 0.75 CCR1 (0.57) GCKCYP3A4MEN1LMNAKMT2A
SCHEMBL19251597 0.69 OGA (0.39) GCKALOX5APMAPK1KDM4EPDE10A
SCHEMBL23421555 0.68 ACP1 (0.38) GCKMAPK1CCR1CCR5CCR8
SCHEMBL18354854 0.68 ADORA3 (0.43) ADORA3ADORA2ACYP3A4ABCC1MAPK14
SCHEMBL2628391 0.67 MAPK14 (0.44) ADORA3ADORA2ACYP3A4ABCC1MAPK14
SCHEMBL9968119 0.67 ADORA3 (0.36) ADORA3ADORA2AMAPK14GABRPGABRD
SCHEMBL24415725 0.67 NPC1 (0.51) ADORA3ADORA2AMAPK14LMNAGABRP
SCHEMBL13183748 0.66 ADORA3 (0.50) ADORA3ADORA2ACYP3A4MAPK14MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed