SCHEMBL19258569

SCHEMBL19258569

C1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccccn4)c3)cc2)CN1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 13/20 0.35
NPY5R Q15761 1/20 0.31
CTSD P07339 1/20 0.31
DHODH Q02127 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL13569556 0.97 METAP1 (0.34) METAP1CTSDDHODHCCR1CCR5
SCHEMBL19258041 0.97 METAP1 (0.34) METAP1CTSDDHODHCCR1CCR5
SCHEMBL13569543 0.96 METAP1 (0.32) METAP1CTSDDHODH
SCHEMBL13569500 0.91 MCL1 (0.33) METAP1CYP2C9
SCHEMBL13569600 0.90 METAP1 (0.34) METAP1CCR1CCR5CCR8
SCHEMBL13070346 0.89 METAP1 (0.32) METAP1CYP2C9
SCHEMBL13569524 0.89 ADORA3 (0.30) ADORA3
SCHEMBL13569531 0.89 CCR1 (0.32) METAP1CCR1CCR5CCR8ADORA3
SCHEMBL13569630 0.88 ADORA3 (0.31) METAP1ADORA3
SCHEMBL13569467 0.88 HTR2C (0.35) METAP1

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-2128159-B1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2017-08-16 EP disclosed