SCHEMBL29534401

SCHEMBL29534401

COc1ccc(-c2cc3cc(Cl)ncc3n2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 5/20 0.40
▸ PDE2A O00408 2/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PRKDC P78527 5/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR1 P34998 2/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ TTK P33981 1/20 0.35

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
SCHEMBL24343780 1.00 DRD1 (0.40) DRD1PDE2ACYP17A1CYP11B1CYP11B2
SCHEMBL24344401 0.82 AR (0.43) MEN1KMT2A
SCHEMBL29534693 0.82 AR (0.43) MEN1KMT2A
SCHEMBL24344851 0.81 BRD9 (0.32) —
SCHEMBL24344849 0.80 PDE10A (0.35) —
SCHEMBL29534557 0.78 RAB9A (0.44) DRD1PDE2A
SCHEMBL24344345 0.78 RAB9A (0.44) DRD1PDE2A
SCHEMBL29534658 0.77 HSP90AA1 (0.43) PDE2AJAK2MEN1KMT2A
SCHEMBL24343823 0.77 HSP90AA1 (0.43) PDE2AJAK2MEN1KMT2A
SCHEMBL24344425 0.77 DRD1 (0.34) DRD1

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
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