SCHEMBL27748684

SCHEMBL27748684

O=C1C=CC(=O)C(c2c[nH]c3ncccc23)=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.48
TGFBR1 P36897 3/20 0.48
PDPK1 O15530 2/20 0.48
IKBKE Q14164 2/20 0.48
PIM1 P11309 3/20 0.46
CDC7 O00311 4/20 0.46
CDK2 P24941 3/20 0.46
MAP4K4 O95819 2/20 0.46
PRKACA P17612 2/20 0.46
GSK3B P49841 2/20 0.46
HIPK2 Q9H2X6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CDK9 P50750 2/20 0.46
CDK5 Q00535 2/20 0.46
ROCK2 O75116 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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
SCHEMBL28506448 0.77 PTPRC (0.49) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL5618155 0.77 TGFBR1 (0.71) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL5879310 0.77 FLT3 (0.49) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL16705131 0.75 FLT3 (0.67) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL1158441 0.75 PTPRC (0.60) PIM1CDK2PRKACAGSK3BKMT2A
SCHEMBL27769958 0.74 DYRK1A (0.52) CAMKK2PDPK1IKBKEPIM1CDK2
SCHEMBL5879209 0.73 PIM1 (0.49) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL1050911 0.72 TGFBR1 (0.60) CAMKK2TGFBR1PDPK1IKBKEPIM1
SCHEMBL27750365 0.71 PTPN11 (0.45) DYRK1A
SCHEMBL5879226 0.70 FLT3 (0.57) CAMKK2TGFBR1PDPK1IKBKEPIM1

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-101492465-A 7,7'-diaza indirubin compounds for antineoplastic medicament UNIV SHANGHAI JIAOTONG (CN) 2009-07-29 CN disclosed