SCHEMBL13845362

SCHEMBL13845362

C=Nc1c(C)ccc(C)c1N=C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL24862191 0.83
SCHEMBL363817 0.81 ATM (0.44) CYP1A2MEN1HSP90AA1KMT2AATM
SCHEMBL21322469 0.74
SCHEMBL23132307 0.70 SIGMAR1 (0.42) CYP1A2MEN1HSP90AA1KMT2AATM
SCHEMBL11932674 0.69 MEN1 (0.30) MEN1HSP90AA1KMT2AATM
SCHEMBL362146 0.69 RAPGEF4 (0.39) CYP1A2MEN1HSP90AA1KMT2AATM
SCHEMBL11351266 0.69 GABRA1 (0.50) CYP1A2MEN1HSP90AA1KMT2AATM
SCHEMBL11139239 0.69 GABRA1 (0.48) MEN1HSP90AA1KMT2AATM
SCHEMBL11932675 0.67
SCHEMBL14001041 0.67 KMT2A (0.38) CYP1A2MEN1HSP90AA1KMT2AATM

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
US-7534503-B2 Monomer for use in preparation of a polymer to be used in optical devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2009-05-19 US disclosed