SCHEMBL901833

SCHEMBL901833

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.72
DYRK1A Q13627 2/20 0.42
NAMPT P43490 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
PDGFRA P16234 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL901421 0.93 KARS1 (0.82) KARS1DYRK1A
SCHEMBL902079 0.91 KARS1 (0.70) KARS1DYRK1ARAF1BRAF
SCHEMBL901791 0.90 KARS1 (0.81) KARS1DYRK1ARAF1BRAF
SCHEMBL901973 0.90 KARS1 (0.69) KARS1DYRK1ARAB9A
SCHEMBL901595 0.90 KARS1 (0.86) KARS1
SCHEMBL902036 0.90 KARS1 (0.81) KARS1DYRK1AABL1PDGFRBBCR
SCHEMBL1704942 0.89 KARS1 (0.64) KARS1RAF1BRAF
SCHEMBL901757 0.88 KARS1 (0.66) KARS1DYRK1ARAF1BRAF
SCHEMBL901557 0.87 KARS1 (0.65) KARS1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL901962 0.87 KARS1 (0.66) KARS1DYRK1ANAMPTRAB9A

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 disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed