SCHEMBL17387402

SCHEMBL17387402

C[C@@H](Nc1ccn2ncc(C(=O)O)c2n1)c1cccc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.49
▸ NTRK3 Q16288 10/20 0.48
▸ NTRK2 Q16620 10/20 0.48
▸ TGFBR1 P36897 1/20 0.41

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
SCHEMBL15428759 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2
SCHEMBL15428650 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2
SCHEMBL15428653 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2
SCHEMBL21045866 0.82 NTRK1 (0.46) NTRK1NTRK3NTRK2TGFBR1
SCHEMBL19614296 0.80 NTRK1 (0.57) NTRK1NTRK3NTRK2
SCHEMBL16936006 0.80 NTRK1 (0.57) NTRK1NTRK3NTRK2
SCHEMBL29497207 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL15428677 0.79 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL15428585 0.79 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL15428641 0.79 NTRK1 (0.58) NTRK1NTRK3NTRK2

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-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
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