SCHEMBL29534909

SCHEMBL29534909

COc1ccccc1-c1c(C#N)c2cc(Cl)ncc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
DYRK1A Q13627 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL24343875 1.00 CYP11B2 (0.40) CYP11B2CYP11B1MAOAKDM4EALDH1A1
SCHEMBL24343859 0.86 KMT2A (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL29534336 0.86 KMT2A (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL29534934 0.79 KMT2A (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL24343899 0.79 KMT2A (0.39) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL24343869 0.77 ABL1 (0.48)
SCHEMBL29534736 0.77 ALDH1A1 (0.37) CYP11B2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL24343867 0.74 PDE10A (0.47) KDM4EALDH1A1HPGDSQORHTT
SCHEMBL29535263 0.74 PDE10A (0.47) KDM4EALDH1A1HPGDSQORHTT
SCHEMBL24343823 0.71 HSP90AA1 (0.43) KDM4EALDH1A1HPGDLMNAMAPT

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
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 CN disclosed
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed