Sugi Predict

Sugi Predict / Compounds / SCHEMBL1704666

SCHEMBL1704666

SCHEMBL1704666

O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(C3=CCNCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.51
▸ WNT3A P56704 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PRKD1 Q15139 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33

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
SCHEMBL1755672 0.93 KARS1 (0.49) KARS1WNT3ACDK9MEN1KMT2A
SCHEMBL1704220 0.83 KARS1 (0.74) KARS1PRKD1PRKD2
SCHEMBL901298 0.78 KARS1 (0.64) KARS1KMT2APRKD1
SCHEMBL902876 0.75 KARS1 (0.43) KARS1WNT3A
SCHEMBL902874 0.75 KARS1 (0.43) KARS1WNT3A
SCHEMBL1704577 0.75 KARS1 (0.56) KARS1WNT3A
SCHEMBL901535 0.74 KARS1 (0.58) KARS1
SCHEMBL901423 0.73 KARS1 (0.71) KARS1PRKD1PRKD2
SCHEMBL1704682 0.73 KARS1 (0.71) KARS1PRKD1PRKD2
SCHEMBL1755681 0.73 KARS1 (0.56) KARS1PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed