SCHEMBL4662739

SCHEMBL4662739

O=CC(Br)c1ccncc1F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.36
RPS6KA3 P51812 1/20 0.34

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
Bromide SCHEMBL4936805 0.98 LOXL2 (0.35) LOXL2RPS6KA3
SCHEMBL4052201 0.79 CCNC (0.38)
SCHEMBL20551380 0.78 GAA (0.39)
SCHEMBL4048670 0.78 SIRT3 (0.34)
SCHEMBL27738537 0.77 LOXL2 (0.37) LOXL2RPS6KA3
SCHEMBL6118889 0.76 RPS6KA3 (0.36) RPS6KA3
SCHEMBL7358831 0.74 CDC25B (0.36)
SCHEMBL3819175 0.74 SIRT3 (0.38)
Bromide SCHEMBL6450377 0.73 SIRT3 (0.37)
SCHEMBL15057387 0.73 ALDH1A1 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO disclosed