SCHEMBL19861615

SCHEMBL19861615

CS(C)(C)CCOCn1cnc2cc(Cl)ncc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31376396 0.83 BRD4 (0.36) MEN1KMT2AKCNH2NPC1RAB9A
SCHEMBL15749768 0.83 BRD4 (0.36) MEN1KMT2AKCNH2NPC1RAB9A
SCHEMBL19861608 0.75 CDC7 (0.37) KMT2A
SCHEMBL19966633 0.71
SCHEMBL19966105 0.68
SCHEMBL22045563 0.68 FGFR1 (0.32) MEN1KMT2A
SCHEMBL21089928 0.68
SCHEMBL23229422 0.68 CXCR3 (0.30)
SCHEMBL22045264 0.67 FGFR1 (0.32)
SCHEMBL20752549 0.67 KCNH2 (0.32) KCNH2

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-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed