SCHEMBL9922052

SCHEMBL9922052

C1=Cc2c(n(-c3ccc(-c4cccc(-c5cccc(-c6cccc7cccnc67)n5)n4)cc3)c3ccccc23)CN1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
CNR2 P34972 1/20 0.31
AKT1 P31749 2/20 0.30
AKT2 P31751 2/20 0.30
AKT3 Q9Y243 2/20 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
SCHEMBL13892617 0.88 METAP2 (0.30) CNR2
SCHEMBL10048010 0.84 CNR2 (0.31) CNR2
SCHEMBL16016346 0.81 HTR1A (0.33)
SCHEMBL16016433 0.80 CYP11B1 (0.32)
SCHEMBL4561489 0.79 KDM4E (0.34) CNR2
SCHEMBL4562423 0.78
SCHEMBL9267421 0.77 MAPK14 (0.35)
SCHEMBL18199763 0.76 KDM4E (0.34)
SCHEMBL12919175 0.76 IKBKE (0.34) ACVRL1ACVR1CNR2AKT1AKT2
SCHEMBL13892803 0.76 MAOA (0.31)

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-2463288-A1 Compound having substituted pyridyl group and pyridoindole ring structure linked through phenylene group, and organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed