SCHEMBL24375516

SCHEMBL24375516

Cc1ccn(-c2ccnc(CO)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 4/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ELOVL1 Q9BW60 1/20 0.34
TYK2 P29597 1/20 0.34
KAT6A Q92794 3/20 0.33
HDAC4 P56524 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 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
SCHEMBL24375524 0.81 IRAK4 (0.38) IRAK4NOTUMCSNK1DCSNK1EELOVL1
SCHEMBL21888960 0.81 IRAK4 (0.36) MAPTALDH1A1IRAK4NPC1NOTUM
SCHEMBL15935038 0.80 RAB9A (0.47) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL22040944 0.76 MAPT (0.43) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL22040943 0.76 RAB9A (0.43) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935033 0.75 MAPT (0.40) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL24375638 0.74 RAB9A (0.42) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935034 0.74 MAPT (0.39) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL22041242 0.73 RAB9A (0.41) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935174 0.73 EED (0.43) RAB9AMAPTKDM4EALDH1A1GAA

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-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed