SCHEMBL4783406

SCHEMBL4783406

COc1c(F)cc(N2CCOCC2)cc1Nc1cnc(C)c(-n2cc(C(=O)NCc3cccnc3)nn2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
ALK Q9UM73 1/20 0.39
NAMPT P43490 4/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 1/20 0.38
DHODH Q02127 2/20 0.37
PIK3CA P42336 1/20 0.37
CFTR P13569 1/20 0.37
TSHR P16473 1/20 0.37
DDT P30046 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL4779406 0.87 RXFP1 (0.42) RXFP1MAPTNAMPTEGLN1ALDH1A1
SCHEMBL4782951 0.86 BRAF (0.37)
SCHEMBL4779417 0.83 MAPK14 (0.49) RXFP1MAPTNAMPTMAPK14DHODH
SCHEMBL4780823 0.82 ACKR3 (0.39) ALDH1A1DHODH
SCHEMBL4781720 0.77 MAPK14 (0.43) MAPTALDH1A1NPSR1MAPK14DHODH
SCHEMBL4782954 0.77 BRAF (0.40)
SCHEMBL4730134 0.74 RAF1 (0.49) MAPTMAPK14
SCHEMBL4780831 0.73 TNK2 (0.39) ALDH1A1DHODH
SCHEMBL4778219 0.71 NAPEPLD (0.40) MAPK14
SCHEMBL4781726 0.71 MAPK14 (0.41) MAPTALDH1A1NPSR1MAPK14DHODH

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed