SCHEMBL20012932

SCHEMBL20012932

COc1cc(Nc2ncc(I)c(-n3ccnc3)n2)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 18/20 0.58
▸ KDR P35968 5/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ FGFR1 P11362 3/20 0.56
▸ FGFR2 P21802 3/20 0.56
▸ FGFR4 P22455 3/20 0.56
▸ EGFR P00533 1/20 0.54

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
SCHEMBL20012944 0.92 TNK2 (0.53) FGFR3KCNH2
SCHEMBL20012947 0.86 WEE1 (0.52) FGFR3EGFR
SCHEMBL20012945 0.86 INSR (0.62) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL20012909 0.85 PDGFRB (0.50) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15243958 0.82 FGFR3 (0.73) FGFR3KDRKCNH2FGFR1FGFR2
SCHEMBL18912619 0.79 FGFR3 (0.74) FGFR3KDRKCNH2FGFR1FGFR2
SCHEMBL15244149 0.78 FGFR3 (0.69) FGFR3KDRKCNH2FGFR1FGFR2
SCHEMBL15243956 0.78 FGFR3 (0.73) FGFR3KDRKCNH2FGFR1FGFR2
SCHEMBL20012920 0.77 TTK (0.57) FGFR1EGFR
SCHEMBL21280246 0.76 FGFR3 (0.70) FGFR3KDRKCNH2FGFR1FGFR2

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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