SCHEMBL27301429

SCHEMBL27301429

N=C(N)c1ccc(Oc2ccc(F)c(F)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
F2 P00734 8/20 0.45
F10 P00742 8/20 0.45
ST14 Q9Y5Y6 5/20 0.44
PRSS1 P07477 5/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
MAP4K4 O95819 1/20 0.44
FURIN P09958 2/20 0.43
PLAU P00749 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
UBE2T Q9NPD8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27295718 0.80 MAOB (0.51) MAP4K4HRH3
SCHEMBL14656296 0.74 MAP4K4 (0.49) MAP4K4KDM4EMEN1KMT2A
SCHEMBL14656111 0.74 THRB (0.51) MAP4K4KDM4EMEN1KMT2A
SCHEMBL27299802 0.74 MAP4K4 (0.46) ST14MAP4K4KDM4EMEN1KMT2A
SCHEMBL9904964 0.71 MAP4K4 (0.41) OPRM1OPRD1OPRK1MAP4K4KDM4E
SCHEMBL20364030 0.71 LMNA (0.64) F2F10ST14PRSS1PRSS2
SCHEMBL31132852 0.71 MAP4K4 (0.49) MAP4K4KDM4EMEN1KMT2A
SCHEMBL27295721 0.71 MAP4K4 (0.43) MAP4K4KDM4EMEN1KMT2A
SCHEMBL27299799 0.71 PDE4B (0.52) OPRM1MAP4K4KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL31473353 0.70 MAP4K4 (0.43) MAP4K4KDM4EMEN1KMT2A

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-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed