SCHEMBL4630896

SCHEMBL4630896

CSc1nccc(Nc2cccc3c2cnn3C)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
CDC7 O00311 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 5/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL15602773 0.82 CCR4 (0.48) CCR4CDC7KMT2ASYKRAF1
SCHEMBL1171821 0.81 RECQL (0.42) PPARGPPARAMEN1NPC1RAB9A
SCHEMBL1172331 0.74 EPHB4 (0.57) RAF1BRAF
SCHEMBL21676894 0.71 MEN1 (0.62) PPARGPPARAMEN1NPC1RAB9A
SCHEMBL15395341 0.70 SYK (0.61) SYKTRPV1
SCHEMBL8312915 0.69 CCR4 (0.55) CCR4MEN1KMT2ARAF1BRAF
SCHEMBL31130330 0.68 CCR4 (0.50) CCR4SYKRAF1BRAFTRPV1
SCHEMBL13707016 0.68 CCR4 (0.53) CCR4KMT2ARAF1BRAFTRPV1
SCHEMBL2228112 0.67 AURKA (0.59) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL12650371 0.67 MAPK14 (0.40) PPARGPPARAMEN1NPC1RAB9A

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-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed