SCHEMBL19670449

SCHEMBL19670449

COc1cc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CCCCC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.40
▸ MAPK14 Q16539 6/20 0.40
▸ TNNI3K Q59H18 6/20 0.40
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BRAF P15056 7/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL19365791 0.90 FGFR4 (0.34) KDRMAPK14TNNI3KBRAFFAAH
SCHEMBL19365829 0.89 KDR (0.39) KDRMAPK14TNNI3KBRAFPIK3CD
SCHEMBL19365311 0.89 CNR2 (0.39) MCHR1FAAH
SCHEMBL19365705 0.88 MAP4K4 (0.38) RAB9AMEN1ALDH1A1KMT2AFAAH
SCHEMBL19365374 0.87 MCHR1 (0.41) ALDH1A1MCHR1FAAH
SCHEMBL19365450 0.87 HDAC1 (0.41) MEN1KMT2AEGFRFAAH
SCHEMBL19670421 0.85 MPL (0.44) KDRMAPK14TNNI3KPOLBRAB9A
SCHEMBL19670601 0.85 POLB (0.41) POLBRAB9AMEN1ALDH1A1KMT2A
SCHEMBL19365497 0.84 ALOX5AP (0.40) RAB9APIK3CAFAAH
SCHEMBL19670248 0.84 ATR (0.41) PIK3CDFAAH

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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