SCHEMBL17448562

SCHEMBL17448562

Cc1cccc(-c2cnn3cc(-c4ccc(N5[C@H](C)CNC[C@@H]5C)cc4)cnc23)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 19/20 0.74
BMPR1A P36894 12/20 0.74
ACVRL1 P37023 8/20 0.66
ACVR1B P36896 7/20 0.66
BMPR1B O00238 6/20 0.66
KDR P35968 2/20 0.51
TGFBR1 P36897 1/20 0.51
PRKAB1 Q9Y478 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
SCHEMBL26867177 0.89 ACVR1 (0.76) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL26867273 0.87 ACVR1 (0.70) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL26867342 0.87 ACVR1 (0.70) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL26867287 0.87 ACVR1 (0.69) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17442424 0.87 ACVR1 (0.69) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL19123447 0.87 ACVR1 (0.72) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17442388 0.87 ACVR1 (0.69) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17441841 0.87 ACVR1 (0.69) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL26867251 0.87 ACVR1 (0.69) ACVR1BMPR1AACVRL1ACVR1BBMPR1B
SCHEMBL17441857 0.86 ACVR1 (0.85) ACVR1BMPR1AACVRL1ACVR1BBMPR1B

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