SCHEMBL21765555

SCHEMBL21765555

O=C(NC1CCCCC1)c1cnc(Cl)cc1NC1COC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.50
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR3C1 P04150 2/20 0.43

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
SCHEMBL21389884 0.88 IRAK4 (0.62) IRAK4TNF
SCHEMBL21379216 0.88 IRAK4 (0.62) IRAK4TNF
SCHEMBL31436626 0.85 IRAK4 (0.53) IRAK4TNF
SCHEMBL26598727 0.85 IRAK4 (0.53) IRAK4TNF
SCHEMBL31678570 0.83 IRAK4 (0.44) IRAK4TNF
SCHEMBL16873023 0.81 IRAK4 (0.40) IRAK4TNF
SCHEMBL21765615 0.81 IRAK4 (0.57) IRAK4NPC1RAB9A
SCHEMBL15688948 0.79 IRAK4 (0.53) IRAK4KMT2ATNF
SCHEMBL21765491 0.78 IRAK4 (0.75) IRAK4TNF
SCHEMBL21949096 0.78 CA1 (0.54) IRAK4GAAKMT2A

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-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 — — EP disclosed
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