SCHEMBL3789880

SCHEMBL3789880

COc1nc(NCc2ccccc2)c2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 3/20 0.44
CYP2D6 P10635 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE5A O76074 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL3778147 0.94 CNR2 (0.42) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3704729 0.85 CNR2 (0.39) CYP1A2SMN1; SMN2CNR2
SCHEMBL3781431 0.83 EGFR (0.42) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3791356 0.82 PTPN7 (0.40) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3785711 0.81 KCNH3 (0.43) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3785492 0.81 CTSL (0.41) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3780588 0.78 LMNA (0.42) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13286377 0.77 CNR2 (0.51) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL3782046 0.75 MPO (0.45) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL3788039 0.75 MAPT (0.44) LMNAMEN1KMT2AMAPTGAA

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