SCHEMBL5774927

SCHEMBL5774927

COc1ccc(Br)c(C(=O)Nc2nc3c(-c4cccc(F)c4)ccc(OC)n3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
F2RL1 P55085 1/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
JAK2 O60674 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 4/20 0.37
KDM4E B2RXH2 2/20 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

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
SCHEMBL5774009 0.81 JAK2 (0.48) NPC1RAB9AMEN1KMT2AJAK2
SCHEMBL5776616 0.79 MAPT (0.45) JAK2MAPTKDM4EPOLBDGAT2
SCHEMBL6646981 0.79 KDM4E (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5775847 0.76 RAB9A (0.52) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL5775294 0.74 KMT2A (0.47) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5774131 0.74 LMNA (0.53) NPC1RAB9AKMT2ARXFP1JAK2
SCHEMBL5774953 0.72 LMNA (0.46) NPC1RAB9AKMT2AJAK2TSHR
SCHEMBL6743436 0.72 LMNA (0.44) NPC1RAB9AKMT2AJAK2MAPT
SCHEMBL5770812 0.72 MAPT (0.48) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5774575 0.71 FYN (0.41) MEN1KMT2AJAK2TSHRMAPT

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
EP-1436292-B1 5-METHOXY-8-ARYL-¬1,2,4|TRIAZOLO¬1,5-A|PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-08-30 EP disclosed
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed