SCHEMBL21940480

SCHEMBL21940480

COCn1cc(-c2nnc(CN)cc2C)c(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 13/20 0.41
▸ MPO P05164 3/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL21940799 0.89 S1PR2 (0.44) S1PR2MPOKCNH2
SCHEMBL21940255 0.82 S1PR2 (0.37) S1PR2MPOKCNH2
SCHEMBL20606921 0.82 S1PR2 (0.49) S1PR2
Hydrochloric Acid SCHEMBL20606941 0.81 S1PR2 (0.48) S1PR2
SCHEMBL21940475 0.81 S1PR2 (0.42) S1PR2
SCHEMBL21941070 0.80 S1PR2 (0.37) S1PR2
SCHEMBL21941071 0.78 S1PR2 (0.34) S1PR2
SCHEMBL21940280 0.73 S1PR2 (0.33) S1PR2
SCHEMBL6990551 0.72 GAA (0.38) —
SCHEMBL21941072 0.71 S1PR2 (0.41) S1PR2

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-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — EP disclosed
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