SCHEMBL16112446

SCHEMBL16112446

CC1CN(C(=O)O)CC(C)N1c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cn1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 15/20 0.74
ACVR1 Q04771 15/20 0.74
ACVRL1 P37023 14/20 0.74
BMPR1B O00238 12/20 0.74
BMPR1A P36894 11/20 0.74
BMP4 P12644 5/20 0.59
KDR P35968 5/20 0.55
TGFBR1 P36897 5/20 0.55
PRKAB1 Q9Y478 5/20 0.55
TGFBR2 P37173 4/20 0.55
BMPR2 Q13873 3/20 0.54
RIPK2 O43353 1/20 0.51
ACVR2A P27037 1/20 0.51
ACVR2B Q13705 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
SCHEMBL16111725 0.94 ACVRL1 (0.74) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16112581 0.89 ACVR1B (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16112582 0.89 ACVR1B (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17531623 0.86 ACVR1B (0.81) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL24409667 0.85 ACVR1 (1.00) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16134982 0.85 ACVR1 (1.00) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16134893 0.83 ACVRL1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509648 0.83 ACVRL1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509657 0.80 ACVR1 (0.67) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL19611370 0.80 ACVR1 (0.67) ACVR1BACVR1ACVRL1BMPR1BBMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970311-A2 BMP INHIBITORS AND METHODS OF USE THEREOF The Brigham and Women's Hospital, Inc. (US) 2016-01-20 EP disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed