SCHEMBL3626874

SCHEMBL3626874

Sc1cc(-n2cncn2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.31
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 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
SCHEMBL3624554 0.86 PIM1 (0.43) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL14970142 0.77 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL558050 0.77 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL3627722 0.77 PIM1 (0.38) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL9295295 0.77 PIM1 (0.36) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL10220884 0.73 MAPT (0.38) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL13086864 0.73 PIM1 (0.36) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL7263765 0.73 HRH4 (0.41) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL9295292 0.73 PIM1 (0.36) PIM1KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL559553 0.73 PIM1 (0.34) PIM1KDM4EALDH1A1MAPT

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
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed