SCHEMBL11889472

SCHEMBL11889472

CN1CCC([CH]c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 3/20 0.36
MAPK11 Q15759 2/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9132404 0.82 MAPT (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL8910489 0.76 CYP2C19 (0.40) SMN1; SMN2KDM4EALDH1A1
SCHEMBL27192654 0.74 HRH3 (0.40) SMN1; SMN2KDM4EALDH1A1ACHE
SCHEMBL8481040 0.73 AKT1 (0.39) SMN1; SMN2KDM4EALDH1A1MAPK14MAPK11
SCHEMBL2077345 0.71 QDPR (0.50) MAPK14MAPK11
SCHEMBL7137184 0.67 HRH4 (0.41) GAA
SCHEMBL1935925 0.67 HRH3 (0.58) SMN1; SMN2
SCHEMBL12676793 0.67 CARM1 (0.43) SMN1; SMN2GAAMAPK14MAPK11
SCHEMBL14980372 0.67 POLB (0.64)
SCHEMBL8302436 0.67 CYP19A1 (0.53)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed