SCHEMBL18159224

SCHEMBL18159224

COc1cc(C(C)(C)N(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C)n1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INSR P06213 16/20 0.77
ALK Q9UM73 16/20 0.77
LRRK2 Q5S007 2/20 0.55
CCNK O75909 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
CDK9 P50750 2/20 0.55
CCND3 P30281 1/20 0.51
CDK6 Q00534 1/20 0.51

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
SCHEMBL18159232 0.88 INSR (0.77) INSRALKLRRK2CCNKCCNA2
SCHEMBL20085708 0.87 ALK (1.00) INSRALK
SCHEMBL18159214 0.80 ALK (0.75) INSRALKLRRK2CCNKCCNA2
SCHEMBL18159216 0.79 INSR (0.76) INSRALKLRRK2CCNKCCNA2
SCHEMBL14177488 0.77 CCNA2 (0.55) INSRALKLRRK2CCNKCCNA2
SCHEMBL20085707 0.77 ALK (1.00) INSRALK
SCHEMBL20085699 0.76 ALK (1.00) INSRALK
SCHEMBL20085705 0.76 ALK (1.00) INSRALK
SCHEMBL20085694 0.75 ALK (1.00) INSRALK
SCHEMBL18159219 0.75 ALK (0.75) INSRALKLRRK2CCNKCCNA2

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-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed