SCHEMBL30729928

SCHEMBL30729928

CC1(F)CCN(c2cc(Oc3ccc(NF)cc3)ccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
NFKB1 P19838 3/20 0.36
NR2C2 P49116 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
TAB1 Q15750 3/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MET P08581 3/20 0.34
AXL P30530 2/20 0.33
CCR6 P51684 1/20 0.33
TGFBR1 P36897 4/20 0.33
KDR P35968 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL27096964 0.82 OPRD1 (0.35) CCR6LRRK2
SCHEMBL27299392 0.81 LRRK2 (0.35) ALDH1A1TSHRCCR6LRRK2
SCHEMBL27096813 0.77 MAPK14 (0.41) MAPK13METKDR
SCHEMBL27309934 0.74 KDR (0.41) MAPK13METKDR
SCHEMBL29834832 0.72 MAP4K4 (0.39) MAPK13MAPTALDH1A1GAATSHR
SCHEMBL27096991 0.71 LRRK2 (0.39) TGFBR1KDRLRRK2
SCHEMBL16775755 0.70 EIF2AK4 (0.37) MAPTGAACCR6LRRK2
SCHEMBL11959104 0.67 HRH4 (0.47) MAPK13NFKB1NR2C2NFKB2RELA
SCHEMBL27096935 0.66 KDR (0.45) MAPK13METKDR
SCHEMBL13232321 0.66 HRH4 (0.49) MAPK13NFKB1NR2C2NFKB2RELA

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed