SCHEMBL3781206

SCHEMBL3781206

CCNc1nc(OC)c2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CASP1 P29466 4/20 0.35
CASP7 P55210 4/20 0.35
USP2 O75604 3/20 0.35
CYP1A2 P05177 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
HBB P68871 1/20 0.35
MPO P05164 1/20 0.35
LMNA P02545 2/20 0.34
GLA P06280 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 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
SCHEMBL3788039 0.89 MAPT (0.44) CNR2ATMMEN1KMT2ALMNA
SCHEMBL3776179 0.89 MPO (0.39) CNR2POLBATMMEN1KMT2A
SCHEMBL3706380 0.89 KCNH3 (0.42) CNR2
SCHEMBL3779747 0.87 MPO (0.38) CNR2POLBATMMEN1KMT2A
SCHEMBL3785711 0.86 KCNH3 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL3782999 0.83 KCNH3 (0.41) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL3787119 0.80 KCNH3 (0.39) ATMMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3713217 0.78 KCNH3 (0.41) CNR2POLBHTTMAPT
SCHEMBL3704729 0.78 CNR2 (0.39) CNR2CYP1A2NPC1HTTRAB9A
SCHEMBL3782046 0.78 MPO (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed