SCHEMBL28848962

SCHEMBL28848962

CC(C)(C)OC(=O)CNc1cnc(Br)cc1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.35
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
CCNT1 O60563 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPRC P08575 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
LIPG Q9Y5X9 1/20 0.32
CALCA P06881 1/20 0.32

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
SCHEMBL28848976 0.80 LMNA (0.42) L3MBTL1
SCHEMBL30289501 0.77 AAK1 (0.52) AAK1PTPRC
SCHEMBL24662352 0.76 AAK1 (0.37) AAK1ZAP70SYKCCNT1L3MBTL1
SCHEMBL20536454 0.76 HSD17B2 (0.38) AAK1CCNT1L3MBTL1PTPRC
SCHEMBL24815322 0.74 ABL1 (0.43) AAK1PTPRC
SCHEMBL24662900 0.73 AAK1 (0.39) AAK1CCNT1L3MBTL1MTNR1AMTNR1B
SCHEMBL23810655 0.73 NPC1 (0.38) AAK1CCNT1L3MBTL1PTPRCCCNB2
SCHEMBL5549639 0.73 PTPRC (0.42) PTPRC
SCHEMBL24662350 0.72 TBK1 (0.38) AAK1SYK
SCHEMBL1884791 0.71 CA12 (0.44) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed