SCHEMBL5228059

SCHEMBL5228059

NCCn1nc(C(N)=O)c2ccc3[nH]ncc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.45
CDK2 P24941 9/20 0.45
CCNA1 P78396 9/20 0.45
NOS1 P29475 1/20 0.35
GRK2 P25098 1/20 0.34
WEE1 P30291 2/20 0.33
PKMYT1 Q99640 2/20 0.33
TEC P42680 2/20 0.33
BMX P51813 2/20 0.33
BTK Q06187 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32
FGR P09769 1/20 0.32
SRC P12931 1/20 0.32
FRK P42685 1/20 0.32
BLK P51451 1/20 0.32
LIMK1 P53667 1/20 0.32

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
Hydrochloric Acid SCHEMBL5228989 0.99 CCNA2 (0.44) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5229094 0.91 CCNA2 (0.46) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5227129 0.84 CCNA2 (0.48) CCNA2CDK2CCNA1
SCHEMBL5230170 0.84 CDK2 (0.42) CCNA2CDK2CCNA1PIK3CDPIK3CG
SCHEMBL5224979 0.83 CCNA2 (0.48) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5227572 0.79 CDK2 (0.39) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5231075 0.77 CCNA2 (0.51) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5264912 0.77 CCNA2 (0.45) CCNA2CDK2CCNA1NOS1WEE1
SCHEMBL5229177 0.77 CCNA2 (0.50) CCNA2CDK2CCNA1WEE1PKMYT1
Hydrochloric Acid SCHEMBL5229537 0.76 CCNA2 (0.50) CCNA2CDK2CCNA1NOS1GRK2

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-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed