SCHEMBL7136339

SCHEMBL7136339

Cn1cc(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc32)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.66
NTRK1 P04629 7/20 0.66
NTRK3 Q16288 5/20 0.66
NTRK2 Q16620 5/20 0.66
FCER2 P06734 4/20 0.66
MAP3K5 Q99683 1/20 0.56
MOGAT2 Q3SYC2 1/20 0.51
MGAT2 Q10469 2/20 0.49
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
RAF1 P04049 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL5366318 0.89 SYK (0.51) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL7136077 0.84 SYK (0.78) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL7131379 0.83 MOGAT2 (0.57) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5368255 0.83 MOGAT2 (0.55) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5358796 0.82 NTRK1 (0.65) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5368431 0.82 MOGAT2 (0.55) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5361781 0.82 MOGAT2 (0.51) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5366412 0.82 MOGAT2 (0.55) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5361507 0.82 MOGAT2 (0.55) SYKNTRK1NTRK3NTRK2FCER2
SCHEMBL5357745 0.81 MOGAT2 (0.58) MOGAT2MGAT2

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed