SCHEMBL18813078

SCHEMBL18813078

CN1CCN(CCNC(=O)O)CC1.Cc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MAPK6 Q16659 11/20 0.44
▸ BMPR1B O00238 1/20 0.41
▸ BMPR1A P36894 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ ACVRL1 P37023 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ EIF2AK4 Q9P2K8 3/20 0.37
▸ KDM5B Q9UGL1 2/20 0.37
▸ EGFR P00533 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL18813097 0.91 EIF2AK4 (0.47) GSK3AGSK3BMAPK6BMPR1BBMPR1A
SCHEMBL18813076 0.89 MAPK6 (0.49) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18813039 0.89 MAPK6 (0.46) GSK3AGSK3BMAPK6EIF2AK4EGFR
SCHEMBL16014915 0.88 EIF2AK4 (0.48) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18813096 0.87 MAPK6 (0.49) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18813417 0.87 GSK3A (0.45) GSK3AGSK3BMAPK6EIF2AK4
Carbamic Acid SCHEMBL18813041 0.86 MAPK6 (0.56) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18813105 0.86 MAPK6 (0.62) GSK3AGSK3BMAPK6BMPR1BBMPR1A
Carbamic Acid SCHEMBL18813046 0.85 MAPK6 (0.55) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18830045 0.85 MAPK6 (0.54) GSK3AGSK3BMAPK6EIF2AK4

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 claimed
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