SCHEMBL5330022

SCHEMBL5330022

CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3cnn(Cc4ccccc4)c3N)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.54
MAPK9 P45984 3/20 0.54
MAPK10 P53779 2/20 0.54
CCNT1 O60563 2/20 0.46
CDK2 P24941 5/20 0.46
CCNA2 P20248 2/20 0.46
CDK9 P50750 1/20 0.46
CCNA1 P78396 1/20 0.46
ACHE P22303 2/20 0.44
BRD4 O60885 1/20 0.44
JUN P05412 2/20 0.44
ADORA2A P29274 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PRMT5 O14744 1/20 0.43
STS P08842 1/20 0.43
USP30 Q70CQ3 2/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5313196 0.85 ADORA2A (0.46) MAPK8MAPK9CCNT1CDK2CCNA2
SCHEMBL8233028 0.82 MAPK8 (0.62) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL8232786 0.82 MAPK8 (0.58) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL5314464 0.82 MAPK8 (0.56) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL8235073 0.81 MAPK10 (0.61) MAPK8MAPK9MAPK10CDK2CCNA2
SCHEMBL8232791 0.79 MAPK8 (0.59) MAPK8MAPK9MAPK10CCNT1CDK2
SCHEMBL8234082 0.76 MAPK1 (0.40) CCNT1CDK2CCNA2CDK9CCNA1
SCHEMBL14190850 0.76 ADORA2A (0.56) CDK2CCNA2ADORA2AGPR119USP30
SCHEMBL3650816 0.74 HDAC8 (0.52) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL26120048 0.74 ADORA2A (0.47) MAPK8MAPK9MAPK10CDK2CCNA2

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-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed