SCHEMBL8042573

SCHEMBL8042573

C=C(/N=C\N(N)c1ccc(Nc2nccc(-c3cc(N4CCCCC4)cc(C(F)(F)F)c3)n2)cc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.42
CAMK2D Q13557 1/20 0.39
STK17A Q9UEE5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CCNA1 P78396 4/20 0.38
PIM1 P11309 2/20 0.38
CDK4 P11802 2/20 0.38
CCND3 P30281 2/20 0.38
GSK3B P49841 2/20 0.38
MTOR P42345 2/20 0.38
JAK1 P23458 3/20 0.37
JAK3 P52333 3/20 0.37
TYK2 P29597 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
SMG1 Q96Q15 1/20 0.37

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
SCHEMBL16404670 0.73 JAK2 (0.49) JAK2CAMK2DSTK17AGSK3BHDAC1
SCHEMBL8050523 0.73 JAK2 (0.49) JAK2CAMK2DSTK17AGSK3BHDAC1
SCHEMBL8058010 0.70 MAPK8 (0.52) JAK2JAK1JAK3TYK2MAPK8
SCHEMBL8052958 0.70 JAK2 (0.39) JAK2CCNA2CDK2CCNA1PIM1
SCHEMBL8052311 0.69 MAPK10 (0.58) JAK2STK17AMAPK8MAPK10
SCHEMBL3753865 0.67 MAPK8 (0.63) JAK2MTORJAK3MAPK8MAPK10
SCHEMBL3754395 0.66 JAK2 (0.58) JAK2CDK2CDK4MTORJAK1
SCHEMBL3748793 0.66 MAPK10 (0.74) JAK2MTORJAK3MAPK8MAPK10
SCHEMBL8051142 0.66 MAPK8 (0.52) JAK2STK17AJAK1JAK3TYK2
SCHEMBL8055715 0.65 JAK2 (0.55) JAK2CAMK2DSTK17AHDAC1HDAC6

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-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed