SCHEMBL16112433

SCHEMBL16112433

CCCCOC(=O)N1CC(C)N(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)C(C)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 14/20 0.64
ACVR1B P36896 14/20 0.64
ACVRL1 P37023 12/20 0.64
BMPR1B O00238 11/20 0.64
BMPR1A P36894 8/20 0.64
KDR P35968 6/20 0.55
TGFBR1 P36897 6/20 0.55
PRKAB1 Q9Y478 6/20 0.55
BMP4 P12644 6/20 0.55
TGFBR2 P37173 4/20 0.55
BMPR2 Q13873 3/20 0.53
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
SCHEMBL17509657 0.86 ACVR1 (0.67) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL19611370 0.86 ACVR1 (0.67) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL16134935 0.86 ACVR1 (0.67) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL16112600 0.82 PLK4 (0.47) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17509652 0.81 ACVR1 (0.68) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17509651 0.81 ACVR1 (0.68) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17531597 0.79 ACVR1B (0.81) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL24409711 0.78 ACVR1 (1.00) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL16112502 0.78 ACVR1 (1.00) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL16112581 0.78 ACVR1B (0.68) ACVR1ACVR1BACVRL1BMPR1BBMPR1A

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