SCHEMBL29923902

SCHEMBL29923902

COc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.53
PIK3CA P42336 3/20 0.49
MTOR P42345 2/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
NFKBIA P25963 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TYK2 P29597 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL24915560 0.80 PIK3CA (0.50) HPGDSPIK3CAMTORKDM4EALDH1A1
SCHEMBL29923911 0.75 NFKBIA (0.49) KDM4EALDH1A1SMN1; SMN2NFKBIAMAPT
SCHEMBL2015530 0.75 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL29923203 0.74 PSMD14 (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29923773 0.69 KMT2A (0.47) HPGDSKDM4EALDH1A1HPGDKMT2A
SCHEMBL13373465 0.68 HPGD (0.61) PIK3CAMTORALDH1A1NPC1RAB9A
SCHEMBL12521829 0.68 KCNMA1 (0.67) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL28529190 0.65 NFKBIA (0.50) NPC1RAB9ALMNANFKBIAMAPT
SCHEMBL17159814 0.65 PIM1 (0.69) HPGDSPIK3CAMTORKDM4ENPC1
SCHEMBL13373471 0.65 RAB9A (0.61) HPGDSKDM4EALDH1A1NPC1RAB9A

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed