SCHEMBL1822901

SCHEMBL1822901

[CH2]c1cccc(-c2cnn[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
IDO1 P14902 3/20 0.32

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
SCHEMBL5020146 0.78 HSD17B1 (0.48)
SCHEMBL5020148 0.78 METAP2 (0.46) NOTUMIDO1
SCHEMBL30171029 0.78 IDO1 (0.54) NOTUMIDO1
SCHEMBL5020277 0.78 IDO1 (0.46) NOTUMIDO1
SCHEMBL5020152 0.78 MAP4K4 (0.47)
SCHEMBL8780977 0.78 NOTUM (0.33) NOTUMIDO1
SCHEMBL5020151 0.78 IDO1 (0.46) IDO1
SCHEMBL10018 0.76 SCN4A (0.46) IDO1
SCHEMBL23150465 0.74 IDO1 (0.40) NOTUMIDO1
SCHEMBL28642376 0.74 NTRK1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP claimed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO claimed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed