SCHEMBL8236159

SCHEMBL8236159

Cn1ncc(-c2ccnc(NCC3CN(C(=O)OC(C)(C)C)C3)n2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.44
JAK3 P52333 2/20 0.42
NAMPT P43490 1/20 0.41
JAK2 O60674 1/20 0.40
IRAK1 P51617 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
BUB1 O43683 1/20 0.37
VCP P55072 1/20 0.37
CNR1 P21554 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
BRD4 O60885 1/20 0.36
SYK P43405 1/20 0.36
PIK3CD O00329 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL8234082 0.86 MAPK1 (0.40) JAK3CCNT1CDK9CCNA2CDK2
SCHEMBL5313196 0.81 ADORA2A (0.46) BCDIN3DCCNT1CCNA2CDK2CCNA1
SCHEMBL8236676 0.78 CDK2 (0.41) VCPCCNA2CDK2PIK3CD
SCHEMBL3652082 0.76 JAK2 (0.49) JAK3NAMPTJAK2BUB1VCP
SCHEMBL5309626 0.76 BCDIN3D (0.46) BCDIN3DJAK3JAK2VCPCDK2
SCHEMBL8233813 0.73 IRAK1 (0.43) BCDIN3DIRAK1CCNT1VCPCCNA2
SCHEMBL8233720 0.71 CDK2 (0.47) CCNA2CDK2CCNA1
SCHEMBL8233534 0.71 CXCR4 (0.44) BCDIN3DCDK2
SCHEMBL8235923 0.70 MKNK1 (0.43) JAK2CCNT1CDK9CDK2SYK
SCHEMBL26506937 0.69 GRIN2B (0.47) BCDIN3DVCPGPR119

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