SCHEMBL5623710

SCHEMBL5623710

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)O)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.50
BRAF P15056 18/20 0.50
PLAU P00749 1/20 0.46

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
SCHEMBL5593458 0.89 BRAF (0.61) RAF1BRAF
SCHEMBL5592994 0.89 RAF1 (0.48) RAF1BRAF
SCHEMBL5602980 0.85 RAF1 (0.54) RAF1BRAF
SCHEMBL5593159 0.84 RAF1 (0.51) RAF1BRAFPLAU
SCHEMBL15074587 0.82 PLAU (0.57) RAF1BRAFPLAU
SCHEMBL5593279 0.80 RAF1 (0.50) RAF1BRAFPLAU
SCHEMBL4781325 0.79 RAF1 (0.55) RAF1BRAF
SCHEMBL15070867 0.78 PLAU (0.52) RAF1BRAFPLAU
SCHEMBL4541538 0.78 RAF1 (0.56) RAF1BRAF
SCHEMBL4727385 0.78 RAF1 (0.56) RAF1BRAF

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed