SCHEMBL6628065

SCHEMBL6628065

CC(=O)c1ccnc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
POLB P06746 4/20 0.34
RAB9A P51151 1/20 0.34
SRC P12931 2/20 0.34
TGFBR1 P36897 2/20 0.34
GAA P10253 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL353106 0.83 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4CKDM4EASPH
SCHEMBL17881864 0.83 CYP2A6 (0.33) P2RX7CYP2A6
SCHEMBL353138 0.81 SIRT3 (0.46) SMN1; SMN2P2RX7ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL5796678 0.79 SIRT3 (0.44) SMN1; SMN2P2RX7ALDH1A1KDM4ERAB9A
SCHEMBL30590435 0.79 SMN1; SMN2 (0.42) SMN1; SMN2P2RX7ALDH1A1KDM4CKDM4E
SCHEMBL1119080 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4CKDM4EPOLB
SCHEMBL27554852 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4CKDM4EASPH
SCHEMBL13041779 0.78 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4CKDM4EPOLB
SCHEMBL25828300 0.76 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4CKDM4EASPH
SCHEMBL11131895 0.75 HPGD (0.56) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed