SCHEMBL2580433

SCHEMBL2580433

CCC(CC)(C(=O)O)C(=O)Oc1cncc(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 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
SCHEMBL2924939 0.74 CDK2 (0.39) NTRK1
SCHEMBL27752731 0.73 CDK2 (0.38) NTRK1
SCHEMBL14688148 0.71 NTRK1 (0.35) NTRK1
SCHEMBL29031594 0.70 ALDH1A1 (0.37) NTRK1
SCHEMBL3750334 0.70 MEN1 (0.40)
SCHEMBL2849173 0.67 KMT2A (0.50)
SCHEMBL16778251 0.67 CDK2 (0.32)
SCHEMBL4434419 0.66 CDK2 (0.40)
SCHEMBL453104 0.65 ELANE (0.46)
SCHEMBL24768908 0.65 CDK2 (0.32)

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
WO-2011137022-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed