SCHEMBL29993291

SCHEMBL29993291

N#Cc1nc(Cl)nc2[nH]cc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHUK O15111 12/20 0.43
LRRK2 Q5S007 2/20 0.34
IKBKB O14920 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL23647696 1.00 CHUK (0.43) CHUKLRRK2IKBKBMAPK1
SCHEMBL1017679 0.77 CHUK (0.41) CHUKMAPK1
SCHEMBL4012627 0.72 CHUK (0.40) CHUKLRRK2MAPK1
SCHEMBL29993346 0.71
SCHEMBL23647528 0.71
SCHEMBL19010829 0.69 CHUK (0.71) CHUKLRRK2IKBKB
SCHEMBL31095312 0.69 CHUK (0.71) CHUKLRRK2IKBKB
SCHEMBL1020911 0.69
SCHEMBL29993619 0.69
SCHEMBL29643720 0.67 CHUK (0.41) CHUKLRRK2IKBKB

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
CN-114867720-B Heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-10-22 CN disclosed
CN-116323622-A Bicyclic heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2023-06-23 CN disclosed
WO-2022237178-A1 BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-11-17 WO disclosed
CN-115340545-A Bicyclic heteroaryl derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-11-15 CN disclosed