SCHEMBL29474172

SCHEMBL29474172

O=[N+]([O-])c1c(F)c(Cl)c(Br)c2cn[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
NOS1 P29475 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
APEX1 P27695 1/20 0.34
NOS3 P29474 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL29474150 0.83 NOS1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26122328 0.82 NOS1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30556575 0.82 NOS1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29474177 0.77 IDO1 (0.34) CYP1A2MAPTIDO1TDO2
SCHEMBL28369620 0.77 NOS1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30850926 0.74 TDO2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27331407 0.74 TDO2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24294312 0.71 MAP4K1 (0.32)
SCHEMBL21271908 0.71 MAPT (0.42) NOS1TSHRKDM4EMEN1CYP1A2
SCHEMBL30641196 0.71 MAPT (0.42) NOS1TSHRKDM4EMEN1CYP1A2

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