SCHEMBL16703672

SCHEMBL16703672

CC(=O)N1CC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)C1.Fc1ccc2c(-c3cnn(C4CNC4)c3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 19/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL16697694 0.95 TDO2 (0.50) TDO2
SCHEMBL16698030 0.88 TDO2 (0.49) TDO2GSK3BDYRK1A
SCHEMBL16697903 0.86 TDO2 (0.49) TDO2
SCHEMBL16697865 0.86 TDO2 (0.49) TDO2
SCHEMBL16698147 0.85 TDO2 (0.49) TDO2
SCHEMBL16698272 0.83 TDO2 (0.44) TDO2
SCHEMBL16697783 0.79 TDO2 (0.47) TDO2
SCHEMBL16697882 0.79 TDO2 (0.47) TDO2
SCHEMBL16697781 0.79 TDO2 (0.47) TDO2
SCHEMBL16698397 0.79 TDO2 (0.47) TDO2GSK3BDYRK1A

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-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 — — EP claimed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — WO claimed
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