SCHEMBL3931925

SCHEMBL3931925

O=C(O)N1CCN(c2ncnc3ccc(-c4ccccc4Cl)nc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.51
CNR1 P21554 14/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMO Q99835 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42

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
SCHEMBL3932105 0.84 KDM4E (0.48) CNR2CNR1LMNACYP1A2CYP3A4
SCHEMBL3925621 0.81 MAP4K4 (0.43) CNR2ALDH1A1AKT1AKT2AKT3
SCHEMBL30333588 0.81 MAP4K4 (0.43) CNR2ALDH1A1AKT1AKT2AKT3
SCHEMBL3930200 0.80 LIMK2 (0.54) CNR2CNR1ALDH1A1MAPK1
SCHEMBL3933805 0.79 KIT (0.49) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL3931531 0.78 MKNK2 (0.44) LMNAUSP2TSHRMAPK1
SCHEMBL3919894 0.76 NEK2 (0.43) ALDH1A1AKT1
SCHEMBL3925100 0.76 CYP1A2 (0.46) LMNACYP1A2CYP3A4CYP2C19CLK4
SCHEMBL20304708 0.73 CNR1 (0.82) CNR2CNR1
SCHEMBL16637970 0.72 PDGFRB (0.51) LMNACYP1A2CYP3A4CYP2C19CLK4

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-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO claimed