SCHEMBL3346988

SCHEMBL3346988

COc1cc(N2CCN(CC=O)CC2)cc(F)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.36
HTR4 Q13639 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR1 P32246 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2726089 0.79 ALDH1A1 (0.48) KDM4EALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3344767 0.77 ALDH1A1 (0.39) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3315825 0.76 CASP6 (0.49) MAPTLMNA
SCHEMBL2229043 0.76 ADAMTS5 (0.42) CCR1ADAMTS4ADAMTS5KMT2A
SCHEMBL30336390 0.74 MAPT (0.40) KDM4EALDH1A1MAPTMAPK1LMNA
SCHEMBL4016287 0.74 CCR1 (0.55) ALDH1A1MAPTCYP2C19LMNACCR1
SCHEMBL3345216 0.72 ALDH1A1 (0.47) KDM4EALDH1A1MAPTMAPK1HTR4
SCHEMBL5077254 0.71 GAA (0.46) KDM4EMAPTDRD2DRD4SMN1; SMN2
SCHEMBL20591936 0.71 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMAPK1DRD2
SCHEMBL10075922 0.71 HTR7 (0.50) KDM4EALDH1A1DRD2DRD4DRD3

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed