SCHEMBL5705458

SCHEMBL5705458

CC(Cl)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1I

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
ABL1 P00519 5/20 0.38
BCR P11274 5/20 0.38
TP53 P04637 1/20 0.38
GALR3 O60755 1/20 0.37
VNN1 O95497 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
LTA4H P09960 1/20 0.34
EPHX2 P34913 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
SCHEMBL5705467 0.91 TP53 (0.39) CYP3A4ABL1BCRTP53GALR3
SCHEMBL5705461 0.89 VNN1 (0.39) CYP3A4ABL1BCRTP53GALR3
SCHEMBL5705522 0.89 TP53 (0.38) CYP3A4ABL1BCRTP53GALR3
SCHEMBL5705471 0.84 VNN1 (0.40) CYP3A4ABL1BCRTP53VNN1
Flufenerim SCHEMBL26581 0.82 CYP3A4 (0.42) CYP3A4ABL1BCRTP53GALR3
Flufenerim SCHEMBL29429245 0.82 CYP3A4 (0.42) CYP3A4ABL1BCRTP53GALR3
SCHEMBL5705480 0.81 MAPK1 (0.50) MAPTCNR2HTTRAB9A
SCHEMBL9039253 0.76 GALR3 (0.40) TP53GALR3POLBMAPTCNR2
SCHEMBL27993030 0.76 CYP3A4 (0.39) CYP3A4ABL1BCRTP53VNN1
SCHEMBL15684873 0.74 PDE2A (0.41) TP53GALR3HTTRAB9ATTBK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074546-B1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2006-09-06 EP claimed
US-6521627-B1 Insecticidal, acaricidal, nematocidal and fungicidal activities UBE INDUSTRIES, LTD. (JP) 2003-02-18 US claimed
EP-1074546-A1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES Ube Industries, Ltd. (JP) 2001-02-07 EP claimed
EP-1074546-B1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2006-09-06 EP disclosed
US-6521627-B1 Insecticidal, acaricidal, nematocidal and fungicidal activities UBE INDUSTRIES, LTD. (JP) 2003-02-18 US disclosed
EP-1074546-A1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES Ube Industries, Ltd. (JP) 2001-02-07 EP disclosed