SCHEMBL29474157

SCHEMBL29474157

COc1c(F)cc(N)c(C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.36
CA4 P22748 5/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CA1 P00915 4/20 0.32
CA6 P23280 4/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL30079657 0.85 CA2 (0.36) CA2CA4POLBL3MBTL1MAPT
SCHEMBL30699824 0.82 CA2 (0.38) CA2CA4POLBL3MBTL1MAPT
SCHEMBL21379277 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29478995 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL24802910 0.77 GAA (0.42) CA2CA4POLBL3MBTL1MAPT
SCHEMBL31248689 0.74 CA2 (0.38) CA2CA4POLBL3MBTL1MAPT
SCHEMBL31726708 0.74 CA2 (0.38) CA2CA4POLBL3MBTL1MAPT
SCHEMBL17378896 0.74 ALDH1A1 (0.41) CA2CA4POLBL3MBTL1MAPT
SCHEMBL3273426 0.72 ALOX5AP (0.35) CA2CA4POLBL3MBTL1MAPT
SCHEMBL31190021 0.72 POLB (0.38) CA2CA4POLBL3MBTL1MAPT

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
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
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