SCHEMBL17448673

SCHEMBL17448673

Cc1ccc(-c2cnn3cc(-c4ccc(OC5(CN6CCCCC6)CC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 4/20 0.56
ACVR1 Q04771 15/20 0.55
BMPR1B O00238 9/20 0.53
ACVRL1 P37023 9/20 0.53
BMPR1A P36894 6/20 0.53
ACVR1B P36896 6/20 0.53
KDR P35968 5/20 0.48
TGFBR1 P36897 4/20 0.48
TGFBR2 P37173 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
FLT1 P17948 3/20 0.48
FLT4 P35916 2/20 0.48
PRKAB2 O43741 1/20 0.48
LCK P06239 1/20 0.48
YES1 P07947 1/20 0.48
THRB P10828 1/20 0.48
SRC P12931 1/20 0.48
EIF2AK2 P19525 1/20 0.48
EPHA2 P29317 1/20 0.48
PRKAG1 P54619 1/20 0.48

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
SCHEMBL17448674 0.99 BMP4 (0.54) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL19110567 0.88 ACVR1 (0.55) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL24425280 0.87 ACVR1 (0.55) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL19110566 0.87 ACVR1 (0.55) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL24409687 0.86 ACVR1 (0.54) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL17442373 0.86 ACVR1 (0.75) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL19123887 0.86 ACVR1 (0.53) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL17442184 0.85 ACVR1 (0.75) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL19123956 0.85 ACVR1 (0.53) BMP4ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL17448650 0.85 BMP4 (0.76) BMP4ACVR1BMPR1BACVRL1BMPR1A

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
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed