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SCHEMBL901750

SCHEMBL901750

COC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 17/20 0.81
▸ PRKD1 Q15139 1/20 0.44
▸ PRKD2 Q9BZL6 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43

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
SCHEMBL902055 0.92 KARS1 (0.88) KARS1PRKD1PRKD2CDK7CCNH
SCHEMBL901804 0.90 KARS1 (0.68) KARS1RAB9A
SCHEMBL901763 0.90 KARS1 (1.00) KARS1PRKD1PRKD2CDK7CCNH
SCHEMBL901742 0.89 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901956 0.88 KARS1 (0.83) KARS1PRKD1PRKD2CDK7CCNH
SCHEMBL1704425 0.87 KARS1 (0.80) KARS1
SCHEMBL903001 0.87 KARS1 (0.62) KARS1RAB9A
SCHEMBL1704268 0.87 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901859 0.86 KARS1 (0.88) KARS1PRKD1PRKD2
SCHEMBL901620 0.86 KARS1 (1.00) KARS1PRKD1PRKD2CDK7CCNH

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