SCHEMBL9832183

SCHEMBL9832183

N#CC(C#N)=C1CCCN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
AURKA O14965 1/20 0.34
TYK2 P29597 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HSD11B1 P28845 1/20 0.31
GAA P10253 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
SCHEMBL9831983 0.71 HRH3 (0.38) HRH3
SCHEMBL10408223 0.67 ALDH1A1 (0.37) POLBMEN1USP2LMNAMAPT
SCHEMBL1952765 0.66 CYP3A4 (0.46) NOS3NOS1AURKATYK2POLB
SCHEMBL19058028 0.65 NOS3 (0.30) NOS3NOS1
SCHEMBL23917218 0.65 NOS3 (0.43) NOS3NOS1POLBKMT2AHSD11B1
SCHEMBL20858617 0.65 NOS3 (0.43) NOS3NOS1POLBKMT2AHSD11B1
SCHEMBL22889 0.65 NOS3 (0.43) NOS3NOS1POLBKMT2AHSD11B1
SCHEMBL15606226 0.65 NOS1 (0.43) NOS3NOS1AURKATYK2POLB
SCHEMBL16949892 0.65 NOS1 (0.72) NOS3NOS1AURKATYK2POLB
SCHEMBL13955039 0.65 NOS1 (0.43) NOS3NOS1AURKATYK2POLB

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-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed