SCHEMBL3946099

SCHEMBL3946099

COc1cc(-c2cccnc2N)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.61
BRD4 O60885 1/20 0.56
SYK P43405 1/20 0.55
TGFBR1 P36897 3/20 0.55
BMPR1A P36894 1/20 0.54
ACVRL1 P37023 1/20 0.54
ACVR1 Q04771 1/20 0.54
CHEK2 O96017 1/20 0.51

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
SCHEMBL5917924 0.84 MEN1 (0.55) FYNTGFBR1ACVR1CHEK2
SCHEMBL27799325 0.80 DYRK1A (0.58) FYNTGFBR1ACVR1CHEK2
SCHEMBL15672918 0.79 MGAM (0.51) FYN
SCHEMBL28488891 0.78 MAP4K4 (0.51) FYN
SCHEMBL28417539 0.77 SYK (0.55) FYNBRD4SYK
SCHEMBL6974958 0.76 FYN (0.55) FYNBRD4TGFBR1BMPR1AACVRL1
SCHEMBL18613367 0.76 FYN (1.00) FYNTGFBR1BMPR1AACVRL1ACVR1
SCHEMBL18613265 0.75 FYN (1.00) FYNTGFBR1BMPR1AACVRL1ACVR1
SCHEMBL29361091 0.75 FYN (0.72) FYNTGFBR1BMPR1AACVRL1ACVR1
SCHEMBL20522368 0.75 CLK4 (0.56) FYNSYKCHEK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347462-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS Lau, Warren C. (US) 2018-07-18 EP claimed
WO-2017044623-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS LAU WARREN C (US) 2017-03-16 WO claimed
US-20230392115-A1 METHODS FOR MAKING AND USING DIFFERENTIATED NEURAL CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2023-12-07 US disclosed
EP-3122355-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP The Brigham and Women's Hospital, Inc. (US) 2017-02-01 EP disclosed
WO-2015148654-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-10-01 WO disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed