SCHEMBL17030288

SCHEMBL17030288

O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(P)cc3)nc2n1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.84
PIK3CA P42336 2/20 0.71
MAPK8 P45983 2/20 0.71
MAPK9 P45984 2/20 0.71
MAPK10 P53779 2/20 0.71

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
SCHEMBL12970878 0.91 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12971139 0.91 MAPK1 (0.84) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL13191753 0.90 MAPK1 (0.83) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12971081 0.90 MAPK1 (0.82) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970824 0.88 MAPK1 (0.80) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970848 0.88 MAPK1 (0.80) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970911 0.87 MAPK1 (0.78) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970745 0.87 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL13173608 0.87 MAPK1 (0.82) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4675759 0.86 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10

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-2694067-B1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE TERNA ZENTARIS GMBH (DE) 2015-08-26 EP disclosed