SCHEMBL20012944

SCHEMBL20012944

COc1cc(Nc2ncc(I)c(-n3ccnc3)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.53
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FGFR3 P22607 2/20 0.51
▸ FLT3 P36888 1/20 0.50
▸ WEE1 P30291 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PAK1 Q13153 7/20 0.49
▸ ACVR1 Q04771 1/20 0.48
▸ TNIK Q9UKE5 1/20 0.47
▸ BRD4 O60885 5/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ BRD2 P25440 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ BRD3 Q15059 1/20 0.47
▸ BRDT Q58F21 1/20 0.47

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
SCHEMBL20012932 0.92 FGFR3 (0.58) FGFR3KCNH2
SCHEMBL20012947 0.87 WEE1 (0.52) TNK2FGFR3FLT3WEE1TNIK
SCHEMBL20012904 0.83 CDK4 (0.54) TNK2PDGFRBPDGFRAFGFR3BRD4
SCHEMBL15244156 0.79 FGFR3 (0.65) TNK2PDGFRBPDGFRAFGFR3FLT3
SCHEMBL20012945 0.76 INSR (0.62) PDGFRBPDGFRAFGFR3FLT3JAK2
SCHEMBL29458704 0.75 TNK2 (0.61) TNK2PDGFRBPDGFRAFGFR3FLT3
SCHEMBL29727293 0.75 FGFR3 (0.65) PDGFRBPDGFRAFGFR3FLT3WEE1
SCHEMBL29576376 0.75 WEE1 (0.60) TNK2PDGFRBPDGFRAFGFR3FLT3
SCHEMBL20012909 0.74 PDGFRB (0.50) PDGFRBPDGFRAFGFR3WEE1PAK1
SCHEMBL20012902 0.73 INSR (0.60) TNK2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018056621-A1 NOVEL IMIDAZOLYL PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 재단법인 대구경북첨단의료산업진흥재단 2018-03-29 — — WO disclosed
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