SCHEMBL19547145

SCHEMBL19547145

OC[C](CO)C(O)N1CCC[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ RIPK1 Q13546 5/20 0.33
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31

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
SCHEMBL19547194 0.79 NTRK1 (0.42) JAK2NTRK1
SCHEMBL19547154 0.77 RIPK1 (0.34) JAK2NTRK1RIPK1
SCHEMBL4094951 0.69 JAK2 (0.53) JAK2NTRK1SCN3A
SCHEMBL19547178 0.67 RIPK1 (0.33) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4102082 0.67 RIPK1 (0.37) NTRK1RIPK1PSEN1PSEN2APH1B
SCHEMBL15037563 0.66 RIPK1 (0.36) RIPK1
SCHEMBL19547167 0.66 NTRK1 (0.41) JAK2NTRK1
SCHEMBL19547155 0.65 JAK2 (0.33) JAK2NTRK1
SCHEMBL18993965 0.65 JAK2 (0.49) JAK2NTRK1SCN3A
SCHEMBL4106164 0.63 JAK2 (0.50) JAK2NTRK1SCN3A

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-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 — — EP disclosed
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