SCHEMBL8488240

SCHEMBL8488240

Cc1cnc2c(c1)c(-c1cn[nH]c1)cn2C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHUK O15111 15/20 0.48
LRRK2 Q5S007 1/20 0.41
BMPR1B O00238 1/20 0.39
KDR P35968 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
TGFBR2 P37173 1/20 0.39
ACVR1 Q04771 1/20 0.39
BMPR2 Q13873 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
AURKB Q96GD4 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL8480944 0.84 PDK1 (0.47) CHUKBMPR1BKDRBMPR1AACVRL1
SCHEMBL8443752 0.83 ACVR1 (0.48) CHUKBMPR1BKDRBMPR1AACVRL1
SCHEMBL8445006 0.77 BCL2L1 (0.45) CHUK
SCHEMBL4403657 0.77 BRD4 (0.49) LRRK2PIM1AURKBPIK3CA
SCHEMBL13746422 0.76 ACVR1 (0.53) CHUKLRRK2BMPR1BKDRBMPR1A
SCHEMBL8445783 0.76 CHUK (0.39) CHUKBMPR1BKDRBMPR1AACVRL1
SCHEMBL8471885 0.76 CHUK (0.39) CHUKLRRK2BMPR1BKDRBMPR1A
SCHEMBL8443803 0.76 CHUK (0.39) CHUKBMPR1BKDRBMPR1AACVRL1
SCHEMBL8443781 0.75 BRD4 (0.44) CHUK
SCHEMBL17211630 0.74 BRD4 (0.36)

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-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed