SCHEMBL5774933

SCHEMBL5774933

CC(C)(C)c1nc(COCCN2CCOCC2)nc2c1CN(C(=O)O)CC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SIGMAR1 Q99720 3/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
EPHX2 P34913 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALOX15 P16050 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
SCHEMBL6288255 0.77 HSP90AA1 (0.51) HSP90AA1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5774928 0.71 MAPT (0.53) HSP90AA1KDM4EMTOR
SCHEMBL15238568 0.68 CYP1A2 (0.36) KMT2A
SCHEMBL30188618 0.65 HSP90AA1 (0.50) HSP90AA1KDM4EPOLBEPHX2HRH3
SCHEMBL7366975 0.62 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1ATM
SCHEMBL17455035 0.59 CNR2 (0.38) HRH3ALOX15
SCHEMBL8267288 0.59 GLA (0.56) KDM4EMEN1KMT2AALDH1A1ATM
SCHEMBL2932063 0.59 DPP4 (0.46) KDM4ESIGMAR1KMT2AALDH1A1POLB
SCHEMBL18550257 0.58
SCHEMBL21201896 0.58 SIGMAR1 (0.48) KDM4ESIGMAR1ALDH1A1

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed