SCHEMBL30486563

SCHEMBL30486563

Clc1cc(COC2CCCCO2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
CREBBP Q92793 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL25229073 1.00 KDM4C (0.47) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL29749617 0.81 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL23388034 0.81 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL15278408 0.78 ICAM1 (0.39) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL30486583 0.78 ALDH1A1 (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL25281689 0.78 ALDH1A1 (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL31263650 0.78 L3MBTL1 (0.59) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL18302098 0.77 KDM4C (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL1564762 0.76 PDE4A (0.38) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL23531793 0.76 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AMEN1

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
CN-119212994-A Pyrazolopyrazine compounds as SHP2 inhibitors 建新公司 2024-12-27 CN disclosed
EP-4448526-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2024-10-23 EP disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed