SCHEMBL30725504

SCHEMBL30725504

COP(=O)(OC)c1ccccc1Nc1nc(N)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 1/20 0.53
▸ ALK Q9UM73 7/20 0.49
▸ INSR P06213 6/20 0.49
▸ IGF1R P08069 6/20 0.49
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ MAP4K1 Q92918 8/20 0.46
▸ ULK1 O75385 1/20 0.44
▸ MAPK10 P53779 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.42

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
SCHEMBL29833125 0.90 BCL6 (0.48) BCL6ALKINSRIGF1RCDK7
SCHEMBL13832208 0.87 CDK7 (0.61) BCL6ALKINSRIGF1RCDK7
SCHEMBL29833319 0.87 CDK7 (0.61) BCL6ALKINSRIGF1RCDK7
SCHEMBL31344564 0.77 ALK (0.54) ALKINSRIGF1RCDK7CDK9
SCHEMBL24752259 0.77 PTK2 (0.59) ALKMAPK10MAPK9
SCHEMBL28969605 0.76 AURKA (0.69) MAPK10MAPK9
SCHEMBL24752248 0.75 PTK2 (0.60) ULK1MAPK10MAPK8MAPK9
SCHEMBL30500640 0.75 ULK1 (0.74) BCL6ALKINSRIGF1RCDK7
SCHEMBL30001749 0.74 PTK2 (0.45) ALKINSRIGF1RCDK7CDK9
SCHEMBL28969589 0.74 PTK2 (0.45) ALKINSRIGF1RCDK7CDK9

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
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 — — CN disclosed
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