SCHEMBL8113017

SCHEMBL8113017

CCN(CC)c1nc(C)nc(Oc2c(Br)c[c]cc2OC)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.46
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6773376 0.77 CRHR1 (0.51) CRHR1MEN1KMT2AGLAHTT
SCHEMBL6780634 0.77 CRHR1 (0.45) CRHR1MEN1KMT2AGLAHTT
SCHEMBL8107782 0.72 MEN1 (0.46) CRHR1MEN1KMT2AHTT
SCHEMBL6775547 0.71 CRHR1 (0.54) CRHR1
SCHEMBL6775111 0.70 CRHR1 (0.41) CRHR1MEN1KMT2A
SCHEMBL8112971 0.69 CRHR1 (0.45) CRHR1
SCHEMBL6774526 0.67 CRHR1 (0.53) CRHR1
SCHEMBL943918 0.66 CA2 (0.41) HTT
SCHEMBL6774956 0.66 CRHR1 (0.39) CRHR1
SCHEMBL6775942 0.66 CRHR1 (0.42) CRHR1KMT2AGLAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP claimed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP claimed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed