SCHEMBL19908288

SCHEMBL19908288

c1ccc(OC2CCNc3ncc(-c4ccc(N5CCOCC5)cc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.41
TGFBR1 P36897 4/20 0.40
ACVR1 Q04771 4/20 0.40
KDR P35968 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
ACVR1B P36896 2/20 0.40
TGFBR2 P37173 2/20 0.40
BMPR2 Q13873 2/20 0.40
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
ACVRL1 P37023 2/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
FYN P06241 1/20 0.39
ROCK2 O75116 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1601096 0.90 MAPT (0.43) MAPK10TGFBR1ACVR1KDRPRKAB1
SCHEMBL1601146 0.82 CNR2 (0.43) KDM4EMAPT
SCHEMBL1602303 0.68 ABL1 (0.47) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL5133066 0.65 LMNA (0.72) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL1602499 0.62 SLC6A4 (0.40)
SCHEMBL3065789 0.62 JAK2 (0.48) MAPK10TGFBR1ACVR1KDRPRKAB1
SCHEMBL22070450 0.61 IL2 (0.49) MAPK10TGFBR1ACVR1KDRPRKAB1
SCHEMBL18318310 0.61 CNR2 (0.49) SYKKCNH2
SCHEMBL30440657 0.61 LTA4H (0.66) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17754956 0.60 MAPK10 (0.52) MAPK10TGFBR1ACVR1KDRPRKAB1

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-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed