SCHEMBL4774671

SCHEMBL4774671

COc1cc(-c2cc(CN3CCN(CCCc4ccc5c(OC)c(OC)c(OC)cc5c4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4774256 0.94 TGFBR1 (0.42) TGFBR1ACVR1EBPSIGMAR1SMN1; SMN2
SCHEMBL4766895 0.92 TGFBR1 (0.44) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4766894 0.92 TGFBR1 (0.44) TGFBR1ACVR1JAK2JAK1TYK2
SCHEMBL4772534 0.88 SMN1; SMN2 (0.48) TGFBR1ACVR1EBPSIGMAR1TMEM97
SCHEMBL4763684 0.86 TGFBR1 (0.45) TGFBR1ACVR1EBPSIGMAR1TMEM97
SCHEMBL2910499 0.83 SIGMAR1 (0.53) EBPSIGMAR1TMEM97
SCHEMBL4768736 0.83 MEN1 (0.42) TGFBR1ACVR1SMN1; SMN2KCNH2
SCHEMBL4763764 0.82 TGFBR1 (0.49) TGFBR1ACVR1SMN1; SMN2JAK2JAK1
SCHEMBL2910440 0.80 SIGMAR1 (0.50) EBPSIGMAR1TMEM97SMN1; SMN2KCNH2
SCHEMBL4774242 0.80 KMT2A (0.54) TGFBR1ACVR1JAK2JAK1TYK2

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-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed