SCHEMBL8443752

SCHEMBL8443752

COc1cnc2c(c1)c(-c1cn[nH]c1)cn2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.48
BMPR1B O00238 1/20 0.48
KDR P35968 1/20 0.48
BMPR1A P36894 1/20 0.48
ACVRL1 P37023 1/20 0.48
TGFBR2 P37173 1/20 0.48
BMPR2 Q13873 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
CHUK O15111 12/20 0.44
MTNR1A P48039 2/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDK1 Q15118 1/20 0.42
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CLK2 P49760 1/20 0.34

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
SCHEMBL13505283 0.85 BMPR1B (0.47) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL8488240 0.83 CHUK (0.48) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL8480944 0.82 PDK1 (0.47) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL3348977 0.76 HTR6 (0.48) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL8445006 0.75 BCL2L1 (0.45) CHUKCLK2HIPK1HIPK2CLK4
SCHEMBL8445783 0.74 CHUK (0.39) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL13746422 0.74 ACVR1 (0.53) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL8443803 0.73 CHUK (0.39) ACVR1BMPR1BKDRBMPR1AACVRL1
SCHEMBL3351151 0.73 MAPK8 (0.57)
SCHEMBL8445036 0.72 MAPK8 (0.39) ACVR1BMPR1BKDRBMPR1AACVRL1

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-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed