SCHEMBL18830319

SCHEMBL18830319

Cc1ncc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.54
▸ GSK3A P49840 3/20 0.53
▸ GSK3B P49841 3/20 0.53
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MAPK8 P45983 3/20 0.40
▸ MAPK9 P45984 3/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
Carbamic Acid SCHEMBL18813174 0.94 MAPK6 (0.56) MAPK6GSK3AGSK3BCDK4CCND1
SCHEMBL18830045 0.88 MAPK6 (0.54) MAPK6GSK3AGSK3BCDK4CCND1
SCHEMBL17435287 0.88 GSK3A (0.59) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL16022143 0.88 GSK3A (0.59) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL17435288 0.88 GSK3A (0.59) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL18830178 0.87 MAPK6 (0.53) MAPK6GSK3AGSK3BCDK4CCND1
SCHEMBL16012239 0.84 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830216 0.82 GSK3A (0.57) MAPK6GSK3AGSK3BMAPK8MAPK9
Carbamic Acid SCHEMBL18813041 0.82 MAPK6 (0.56) MAPK6GSK3AGSK3BCDK4CCND1
SCHEMBL18830129 0.82 MAPK6 (0.52) MAPK6GSK3AGSK3BCDK4CCND1

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
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
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