SCHEMBL21735378

SCHEMBL21735378

CCC1(F)CC(COc2cc3[nH]c(=O)c(C(C)N)cc3cc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.55

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
SCHEMBL30065159 0.94 IDH1 (0.61) IDH1
SCHEMBL17601180 0.94 IDH1 (0.61) IDH1
SCHEMBL17601178 0.94 IDH1 (0.61) IDH1
Hydrochloric Acid SCHEMBL17601421 0.93 IDH1 (0.61) IDH1
SCHEMBL21735715 0.88 IDH1 (0.52) IDH1
SCHEMBL30065246 0.87 IDH1 (0.58) IDH1
SCHEMBL17601152 0.87 IDH1 (0.58) IDH1
SCHEMBL17601153 0.87 IDH1 (0.58) IDH1
Hydrochloric Acid SCHEMBL17601587 0.86 IDH1 (0.57) IDH1
Hydrochloric Acid SCHEMBL17601586 0.86 IDH1 (0.57) IDH1

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-3447050-B1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-19 EP disclosed