SCHEMBL21563201

SCHEMBL21563201

Cc1ccc2[nH]nnc2c1Br

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1681720 0.79
SCHEMBL102596 0.79 CBFB (0.37)
Water SCHEMBL28270232 0.78 CBFB (0.36)
SCHEMBL1019380 0.76 CYP1A2 (0.32)
SCHEMBL1019781 0.76 MAPT (0.46)
SCHEMBL3469279 0.76 PDPK1 (0.32)
SCHEMBL22965577 0.76
SCHEMBL3259924 0.76
SCHEMBL3469136 0.76
SCHEMBL204111 0.76

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407765-B2 Tetracyclic heteroaryl compounds ASTRAZENECA, AB (SE) 2022-08-09 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
CN-112074520-A Tetracycloheteroaryl compounds 阿斯利康(瑞典)有限公司 2020-12-11 CN disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed