SCHEMBL16112264

SCHEMBL16112264

CC(C)(C)C1CN(C(=O)O)CCN1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 17/20 0.61
ACVR1 Q04771 17/20 0.61
BMPR1A P36894 15/20 0.61
BMPR1B O00238 14/20 0.61
ACVR1B P36896 13/20 0.61
KDR P35968 3/20 0.49
TGFBR1 P36897 2/20 0.49
TGFBR2 P37173 2/20 0.49
BMPR2 Q13873 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
BMP4 P12644 3/20 0.49

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
SCHEMBL16112112 0.95 ACVR1B (0.60) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16112553 0.92 ACVRL1 (0.61) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16134959 0.82 ACVRL1 (0.70) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL17531641 0.77 ACVRL1 (0.84) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16134991 0.77 ACVR1B (0.69) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16134963 0.76 ACVR1 (1.00) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL23988936 0.75 ACVR1 (0.68) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16111945 0.75 ACVRL1 (0.69) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16111725 0.74 ACVRL1 (0.74) ACVRL1ACVR1BMPR1ABMPR1BACVR1B
SCHEMBL16112505 0.74 ACVRL1 (0.70) ACVRL1ACVR1BMPR1ABMPR1BACVR1B

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