SCHEMBL9404501

SCHEMBL9404501

CCOC(=O)c1ncn2c1nc(N1CCOCC1)c1c(F)cccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTOR P42345 9/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
PIK3CA P42336 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7320310 0.89 RXFP1 (0.53) RXFP1KDM4EALDH1A1MAPTNPSR1
SCHEMBL9404393 0.85 ABL1 (0.40) RXFP1KDM4EALDH1A1L3MBTL1POLB
SCHEMBL7315229 0.85 RXFP1 (0.69) RXFP1KDM4EALDH1A1MAPTNPSR1
SCHEMBL9404242 0.81 RXFP1 (0.53) RXFP1KDM4EALDH1A1MAPTNPSR1
SCHEMBL9430096 0.74 MTOR (0.43) RXFP1MAPTMTORPOLBPIK3CA
SCHEMBL9312142 0.73 POLB (0.40) RXFP1KDM4EPOLBPIK3CA
SCHEMBL9430489 0.69 LRRK2 (0.39) ALDH1A1MAPTMTORTP53POLB
SCHEMBL18394497 0.69 ALDH1A1 (0.58) RXFP1KDM4EALDH1A1MAPTNPSR1
SCHEMBL9404286 0.69 GABRA1 (0.48)
SCHEMBL9404451 0.69 OPRK1 (0.37) KDM4EALDH1A1POLBMAPK1

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
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed