SCHEMBL20744448

SCHEMBL20744448

O=C(O)N1CCCCC12CCNC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.43
SOS2 Q07890 1/20 0.43
NAMPT P43490 5/20 0.40
JAK1 P23458 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1771082 0.95 NAMPT (0.43) SOS1SOS2NAMPTJAK1
SCHEMBL18132140 0.93 SOS1 (0.43) SOS1SOS2NAMPTJAK1
SCHEMBL1078904 0.89 SOS1 (0.50) SOS1SOS2NAMPT
SCHEMBL18320297 0.89 NAMPT (0.38) SOS1SOS2NAMPT
Hydrochloric Acid SCHEMBL20135742 0.87 NAMPT (0.37) SOS1SOS2NAMPTJAK1
SCHEMBL12910558 0.87 SOS1 (0.40) SOS1SOS2NAMPTJAK1
SCHEMBL22409355 0.87 NAMPT (0.34) SOS1SOS2NAMPT
SCHEMBL22409324 0.87 SOS1 (0.38) SOS1SOS2
Tert-Butylamine SCHEMBL31135119 0.84 SOS1 (0.40) SOS1SOS2NAMPTJAK1
SCHEMBL29622466 0.84 NAMPT (0.43) SOS1SOS2NAMPT

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
EP-3668882-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2020-06-24 EP disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 WO disclosed