SCHEMBL3403256

SCHEMBL3403256

CS(=O)(=O)c1ccc(-n2ccc3cnc(Nc4ccc(CN5CCN(C(=O)O)CC5)cc4)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ JAK2 O60674 16/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ BRD4 O60885 11/20 0.50
▸ JAK3 P52333 4/20 0.49
▸ PTK2 Q05397 3/20 0.49
▸ FGFR4 P22455 1/20 0.48
▸ SYK P43405 1/20 0.45

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
SCHEMBL1655002 0.93 JAK2 (0.54) AURKACDK4JAK2HDAC6BRD4
SCHEMBL1655049 0.90 AURKA (0.64) AURKACDK4JAK2HDAC6BRD4
SCHEMBL4292070 0.89 JAK2 (0.50) AURKACDK4JAK2HDAC6BRD4
SCHEMBL4293250 0.89 AURKA (0.56) AURKACDK4JAK2HDAC6BRD4
SCHEMBL27916041 0.88 JAK2 (0.50) AURKACDK4JAK2HDAC6BRD4
SCHEMBL3399195 0.87 AURKA (0.55) AURKACDK4JAK2HDAC6BRD4
SCHEMBL1655013 0.87 JAK2 (0.61) AURKACDK4JAK2HDAC6BRD4
SCHEMBL1655187 0.87 AURKA (0.54) AURKACDK4JAK2HDAC6BRD4
SCHEMBL3399191 0.86 JAK2 (0.62) AURKACDK4JAK2HDAC6BRD4
SCHEMBL27916040 0.86 JAK2 (0.50) AURKACDK4JAK2HDAC6BRD4

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-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO claimed
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