SCHEMBL11245574

SCHEMBL11245574

FC(F)(F)c1[nH]c(-c2ccc(Br)cc2Cl)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
PIM1 P11309 5/20 0.40
CSNK2A2 P19784 5/20 0.40
CSNK2B P67870 5/20 0.40
PIM3 Q86V86 5/20 0.40
PIM2 Q9P1W9 5/20 0.40
PTGES O14684 13/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL11245732 0.88 GUSB (0.45) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11244602 0.87 PIM1 (0.40) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11261255 0.84 PTGES (0.36) NT5EPIM1CSNK2A2CSNK2BPIM3
SCHEMBL11246933 0.83 PTGES (0.43) NT5EPTGESAMY1A
SCHEMBL11252262 0.83 PTGES (0.38) NT5EPIM1CSNK2A2CSNK2BPIM3
SCHEMBL11250270 0.83 TRPV4 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11258703 0.83 PIM1 (0.33) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11250888 0.82 PIM1 (0.42) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11250921 0.80 EPAS1 (0.39) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL11246193 0.80 TEK (0.43)

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed