SCHEMBL19921188

SCHEMBL19921188

CC(C)S(=O)(=O)c1ccccc1CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2ccn(C)c12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 9/20 0.52
▸ JAK2 O60674 8/20 0.52
▸ JAK3 P52333 8/20 0.52
▸ BRD4 O60885 7/20 0.46
▸ STAT6 P42226 2/20 0.45
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ BRDT Q58F21 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ PDE5A O76074 1/20 0.42

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
SCHEMBL19921146 0.91 PTK2 (0.62) PTK2JAK2JAK3BRD4STAT6
SCHEMBL19921119 0.91 PTK2 (0.46) PTK2JAK2JAK3BRD4STAT6
SCHEMBL19921089 0.87 AXL (0.53) PTK2JAK2JAK3BRD4BRD2
SCHEMBL19921107 0.86 ALK (0.57) PTK2JAK2JAK3AXLNEK2
SCHEMBL19867342 0.86 BRD4 (0.53) PTK2JAK2JAK3BRD4STAT6
SCHEMBL19921147 0.85 PDE5A (0.47) PTK2PDE5A
SCHEMBL19921166 0.82 STAT6 (0.53) PTK2JAK2JAK3BRD4STAT6
SCHEMBL19921133 0.82 ALK (0.65) PTK2JAK2JAK3AXLNEK2
SCHEMBL19921080 0.81 JAK2 (0.43) PTK2JAK2JAK3BRD4STAT6
SCHEMBL19921112 0.79 PTK2 (0.62) PTK2JAK2JAK3BRD4BRD2

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-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed
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