SCHEMBL16705355

SCHEMBL16705355

CCc1cnc2nc(OC)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CA P42336 3/20 0.38
HPGDS O60760 1/20 0.38
PARP1 P09874 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL13554346 0.78 CSF1R (0.41) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL24091982 0.77 NOS1 (0.43) CYP1A2KMT2APARP1CYP2A6NOS3
SCHEMBL13458729 0.77 CCR1 (0.50) CYP1A2KMT2APIK3CAHPGDSTUBB4A
SCHEMBL31159648 0.75 KMT2A (0.42) CYP1A2KMT2AHPGDSTUBB4ATUBB
SCHEMBL14044798 0.75 PARP1 (0.36) CYP1A2KMT2APARP1PTGS2CYP2A6
SCHEMBL30449077 0.74 MAOB (0.54) HPGDS
SCHEMBL19808389 0.74 CYP1A2 (0.46) CYP1A2KMT2ACYP2A6PDE10AMTNR1A
SCHEMBL91410 0.74 KDM1A (0.44) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12416701 0.72 CYP1A2 (0.40) CYP1A2KMT2APIK3CAHPGDSTUBB4A
SCHEMBL17919945 0.72 CYP1A2 (0.48) CYP1A2CYP2A6PDE10ALOXLOXL2

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
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed