SCHEMBL2481692

SCHEMBL2481692

Cc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CN(C)CC3)cc1.Cc1nccn1-c1ccc(Nc2nc3c(c(NC4CCCCC4)n2)CN(C)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
SYK P43405 2/20 0.37
EGFR P00533 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TYRO3 Q06418 1/20 0.36
BRD4 O60885 2/20 0.34
MERTK Q12866 4/20 0.34
MEN1 O00255 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
TTK P33981 1/20 0.34
JAK3 P52333 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKB Q96GD4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AURKC Q9UQB9 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
SCHEMBL2452081 0.90 ROCK2 (0.38) SYKEGFRTRPV1BRD4AURKA
SCHEMBL2475554 0.90 SYK (0.44) ADORA3ADORA2AADORA1SYKEGFR
SCHEMBL2446932 0.80 SYK (0.46) ADORA3SYKMERTKMEN1AURKA
SCHEMBL2476632 0.79 CYP3A4 (0.37) SYK
SCHEMBL2537540 0.76 TRPV1 (0.46) SYKTRPV1
SCHEMBL2485293 0.76 HTR2C (0.37) SYKTYRO3BRD4MERTK
SCHEMBL2843371 0.76 SYK (0.44) ADORA3ADORA2AADORA1SYKMEN1
SCHEMBL2844684 0.75 MAPT (0.46) TRPV1JAK2JAK3
SCHEMBL2480773 0.75 ADORA3 (0.44) ADORA3ADORA2AADORA1SYKTRPV1
SCHEMBL8276435 0.74 ROCK2 (0.41) SYKTRPV1BRD4

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-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed