SCHEMBL20012920

SCHEMBL20012920

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(I)c(-n2ccnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.57
▸ ALK Q9UM73 7/20 0.54
▸ INSR P06213 5/20 0.54
▸ IGF1R P08069 4/20 0.54
▸ LRRK2 Q5S007 3/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ EGFR P00533 4/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ MAPK7 Q13164 2/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ DCLK1 O15075 1/20 0.48

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
SCHEMBL20012902 0.93 INSR (0.60) TTKALKINSRIGF1RLRRK2
SCHEMBL20012945 0.91 INSR (0.62) ALKINSRIGF1RLRRK2CAMK2D
SCHEMBL20012906 0.87 CDK4 (0.46) IGF1RFGFR1PTK2
SCHEMBL20012909 0.79 PDGFRB (0.50) ALKINSRIGF1REGFRFGFR1
SCHEMBL30957983 0.78 TTK (0.61) TTKALKINSRIGF1RLRRK2
SCHEMBL20012991 0.78 FGFR1 (0.53) IGF1RFGFR1
SCHEMBL20516347 0.78 TTK (0.61) TTKALKINSRIGF1RLRRK2
SCHEMBL30957977 0.78 TTK (0.61) TTKALKINSRIGF1RLRRK2
SCHEMBL20012903 0.77 SYK (0.53) TTKIGF1R
SCHEMBL20012932 0.77 FGFR3 (0.58) EGFRFGFR1

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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