SCHEMBL17448672

SCHEMBL17448672

Cc1ccc(-c2cnn3cc(-c4ccc(OC(F)(F)CN5CCCCC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 16/20 0.64
ACVRL1 P37023 10/20 0.62
BMPR1B O00238 9/20 0.62
ACVR1B P36896 7/20 0.62
BMPR1A P36894 6/20 0.62
BMP4 P12644 4/20 0.55
KDR P35968 5/20 0.47
FLT1 P17948 3/20 0.47
FLT4 P35916 2/20 0.47
TGFBR1 P36897 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
TGFBR2 P37173 2/20 0.47
PRKAB2 O43741 1/20 0.47
LCK P06239 1/20 0.47
YES1 P07947 1/20 0.47
THRB P10828 1/20 0.47
SRC P12931 1/20 0.47
EIF2AK2 P19525 1/20 0.47
EPHA2 P29317 1/20 0.47
PRKAG1 P54619 1/20 0.47

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
SCHEMBL19110565 0.88 ACVR1 (0.63) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL24425295 0.87 ACVR1 (0.62) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL24412134 0.87 ACVR1 (0.61) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17442366 0.86 ACVR1 (0.84) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL19123600 0.86 ACVR1 (0.60) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL26867146 0.85 ACVR1 (0.80) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17448650 0.84 BMP4 (0.76) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17448515 0.83 BMP4 (0.74) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17448673 0.82 BMP4 (0.56) ACVR1ACVRL1BMPR1BACVR1BBMPR1A
SCHEMBL17448674 0.81 BMP4 (0.54) ACVR1ACVRL1BMPR1BACVR1BBMPR1A

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