SCHEMBL28954091

SCHEMBL28954091

COc1c(F)ccc(C)c1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
TUBB1 Q9H4B7 3/20 0.33
MEP1B Q16820 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.31
CA6 P23280 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PAX8 Q06710 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL746439 0.84 CA4 (0.39) CA2CA4TUBB1MEP1BESR1
SCHEMBL25231918 0.83 CA2 (0.35) CA2CA4TUBB1MEP1BESR1
SCHEMBL21757353 0.81 CA2 (0.41) CA2CA4TUBB1CA1CA6
SCHEMBL21437058 0.79 TUBB1 (0.36) TUBB1MEP1BACHEKDM4EALDH1A1
SCHEMBL19617636 0.79 PTPN1 (0.36) PTPN1
SCHEMBL7100255 0.79 LTA4H (0.38) CA2CA1ACHEKDM4ESMN1; SMN2
SCHEMBL29493405 0.79 PTPN1 (0.36) PTPN1
SCHEMBL29463962 0.77 MEP1B (0.38) TUBB1MEP1BACHEKDM4EALDH1A1
SCHEMBL257259 0.77 MEP1B (0.38) TUBB1MEP1BACHEKDM4EALDH1A1
SCHEMBL9213947 0.77 CA2 (0.43) CA2CA4TUBB1CA1CA6

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
EP-4217358-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1st Biotherapeutics, Inc. (KR) 2023-08-02 EP disclosed
CN-114599651-A Indazoles as inhibitors of hematopoietic progenitor kinase 1(HPK1) and methods of use thereof 第一生物治疗股份有限公司 2022-06-07 CN disclosed
WO-2022064459-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO disclosed
WO-2022064458-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO disclosed