SCHEMBL19921167

SCHEMBL19921167

Cn1ccc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc(Nc3ccccc3S(C)(=O)=O)c21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.51
▸ JAK2 O60674 6/20 0.51
▸ JAK3 P52333 6/20 0.51
▸ AXL P30530 1/20 0.45
▸ NEK2 P51955 1/20 0.45
▸ ALK Q9UM73 3/20 0.45
▸ INSR P06213 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ TTK P33981 2/20 0.44
▸ DCLK1 O15075 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ FES P07332 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ZAP70 P43403 1/20 0.42
▸ BRD4 O60885 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
SCHEMBL19921159 0.92 PTK2 (0.58) PTK2JAK2JAK3AXLNEK2
SCHEMBL19921112 0.90 PTK2 (0.62) PTK2JAK2JAK3AXLNEK2
SCHEMBL19921166 0.88 STAT6 (0.53) PTK2JAK2JAK3DCLK1LRRK2
SCHEMBL22730041 0.86 IRAK4 (0.45) PTK2JAK2JAK3ALKDCLK1
SCHEMBL19921085 0.85 PTK2 (0.56) PTK2ALKINSRIGF1REGFR
SCHEMBL19921150 0.85 PLK1 (0.46) PTK2INSRIGF1RDCLK1LRRK2
SCHEMBL19921196 0.84 ALK (0.55) PTK2JAK2JAK3AXLNEK2
SCHEMBL22730040 0.83 IRAK4 (0.42) PTK2JAK2JAK3TTKDCLK1
SCHEMBL19921089 0.81 AXL (0.53) PTK2JAK2JAK3AXLNEK2
SCHEMBL19921180 0.81 ALK (0.46) PTK2JAK2JAK3ALK

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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