SCHEMBL8445783

SCHEMBL8445783

Cn1cc(-c2cn[nH]c2)c2cc(B3OC(C)(C)C(C)(C)O3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHUK O15111 14/20 0.39
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
KDR P35968 3/20 0.33
ACVR1 Q04771 3/20 0.33
BMPR1B O00238 2/20 0.33
BMPR1A P36894 2/20 0.33
ACVRL1 P37023 2/20 0.33
TGFBR2 P37173 2/20 0.33
BMPR2 Q13873 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
PDGFRB P09619 1/20 0.32
ACVR1B P36896 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL8443582 0.81 CHUK (0.33) CHUKGSK3BGSK3AKDRACVR1
SCHEMBL15333327 0.80 ELANE (0.39) GSK3BGSK3AKDRPDGFRB
SCHEMBL14884085 0.76 FFAR1 (0.39) GSK3BGSK3AKDRPDGFRB
SCHEMBL8488240 0.76 CHUK (0.48) CHUKKDRACVR1BMPR1BBMPR1A
SCHEMBL20610615 0.75 GSK3A (0.37) GSK3BGSK3AKDRPDGFRB
SCHEMBL8480944 0.75 PDK1 (0.47) CHUKGSK3BKDRACVR1BMPR1B
SCHEMBL8443752 0.74 ACVR1 (0.48) CHUKKDRACVR1BMPR1BBMPR1A
SCHEMBL731495 0.71 MAP3K14 (0.50) ACVR1
SCHEMBL13746422 0.70 ACVR1 (0.53) CHUKGSK3BKDRACVR1BMPR1B
SCHEMBL21142655 0.69 LPL (0.42) KDRPDGFRB

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