SCHEMBL10327259

SCHEMBL10327259

CSc1nc(N)nc(N[C@@H](CCCN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 15/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CASR P41180 1/20 0.45
▸ LMNA P02545 2/20 0.44

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
SCHEMBL10327385 0.91 LMNA (0.46) TRPV4EPHX2KMT2ACASRLMNA
SCHEMBL12946848 0.91 TRPV4 (0.48) TRPV4EPHX2KMT2ACASRLMNA
SCHEMBL10181357 0.87 TRPV4 (0.47) TRPV4EPHX2KMT2ACASR
SCHEMBL10327185 0.84 TRPV4 (0.41) TRPV4KMT2ALMNA
SCHEMBL10327145 0.83 KDM4E (0.43) TRPV4KMT2ALMNA
SCHEMBL12946845 0.82 TRPV4 (0.44) TRPV4EPHX2KMT2ALMNA
SCHEMBL12946852 0.81 TRPV4 (0.47) TRPV4EPHX2KMT2A
SCHEMBL10327543 0.81 HDAC4 (0.37) TRPV4KMT2A
SCHEMBL10327373 0.80 LMNA (0.46) TRPV4EPHX2KMT2ACASRLMNA
SCHEMBL10327123 0.80 TRPV4 (0.39) TRPV4KMT2A

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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