SCHEMBL10181357

SCHEMBL10181357

CSc1nc(N)nc(NC(=O)[C@H](CCCN2CCOCC2)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 16/20 0.47
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CASR P41180 1/20 0.41

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
SCHEMBL12946848 0.94 TRPV4 (0.48) TRPV4EPHX2KMT2ACASR
SCHEMBL10180493 0.92 TRPV4 (0.42) TRPV4EPHX2KMT2ACASR
SCHEMBL10181524 0.88 TRPV4 (0.46) TRPV4EPHX2KMT2ACTSKKCNH2
SCHEMBL964364 0.87 KMT2A (0.45) TRPV4KMT2ACTSK
SCHEMBL10327259 0.87 TRPV4 (0.49) TRPV4EPHX2KMT2ACASR
SCHEMBL3459382 0.86 HPGD (0.44) TRPV4KMT2ACTSK
SCHEMBL964828 0.86 HPGD (0.44) TRPV4KMT2ACTSK
SCHEMBL12946845 0.86 TRPV4 (0.44) TRPV4EPHX2KMT2A
SCHEMBL10180841 0.84 KMT2A (0.43) TRPV4KMT2ACTSK
SCHEMBL966008 0.84 KMT2A (0.42) KMT2ACTSKKCNH2

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 claimed
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