SCHEMBL6164743

SCHEMBL6164743

COc1cccc(-c2nn(-c3ccc(Cl)nn3)c3c2C(=O)C(C)(C)CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAOB P27338 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 2/20 0.33
SRC P12931 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL6164065 0.86 SMN1; SMN2 (0.44) CCNA2CDK2RAB9ASMN1; SMN2KMT2A
SCHEMBL6166539 0.85 SRC (0.39) CCNA2CDK2RAB9ASMN1; SMN2ADORA2A
SCHEMBL6163516 0.81 CCNA2 (0.41) CCNA2CDK2RAB9ASMN1; SMN2SRC
SCHEMBL6166715 0.75 KCNK3 (0.39) ADORA2AADORA1NCOA1NCOA3KMT2A
SCHEMBL6167058 0.70 KDM4E (0.41) CCNA2CDK2RAB9ASMN1; SMN2SRC
SCHEMBL7480325 0.69 GAA (0.56) SMN1; SMN2ADORA2AADORA1NCOA1NCOA3
SCHEMBL6166406 0.65 CCNA2 (0.41) CCNA2CDK2RAB9ASMN1; SMN2SRC
SCHEMBL7537246 0.65 DHODH (0.41) RAB9ANCOA1NCOA3SLC16A3SLC16A1
SCHEMBL9310188 0.64 ALDH1A1 (0.44) SMN1; SMN2KMT2AGAAMEN1MAPT
SCHEMBL9312278 0.64 WDR5 (0.42) RAB9ASMN1; SMN2MAOBKMT2APDE10A

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-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed