SCHEMBL20012902

SCHEMBL20012902

COc1cc(N2CCOCC2)ccc1Nc1ncc(I)c(-n2ccnc2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 5/20 0.60
▸ ALK Q9UM73 4/20 0.60
▸ LRRK2 Q5S007 3/20 0.58
▸ TTK P33981 6/20 0.55
▸ ULK1 O75385 2/20 0.54
▸ DCLK1 O15075 1/20 0.54
▸ MAPK7 Q13164 1/20 0.54
▸ TNK2 Q07912 1/20 0.52
▸ IGF1R P08069 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ ZAP70 P43403 2/20 0.50
▸ EGFR P00533 1/20 0.50

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
SCHEMBL20012920 0.93 TTK (0.57) INSRALKLRRK2TTKDCLK1
SCHEMBL20012945 0.85 INSR (0.62) INSRALKLRRK2DCLK1MAPK7
SCHEMBL20012903 0.84 SYK (0.53) TTKIGF1R
SCHEMBL20012906 0.78 CDK4 (0.46) IGF1R
SCHEMBL3720414 0.75 INSR (0.67) INSRALKLRRK2TTKULK1
SCHEMBL20012904 0.75 CDK4 (0.54) INSRALKTTKTNK2EGFR
SCHEMBL29575617 0.75 TTK (0.72) INSRALKLRRK2TTKULK1
SCHEMBL12311873 0.74 LRRK2 (1.00) INSRALKLRRK2DCLK1TNK2
SCHEMBL20012936 0.73 WEE1 (0.47) EGFR
SCHEMBL20012944 0.73 TNK2 (0.53) 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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