SCHEMBL16879671

SCHEMBL16879671

C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncccc1C(=O)NCCCCO

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.67
ACVR1B P36896 18/20 0.67
ACVRL1 P37023 15/20 0.67
ACVR1 Q04771 4/20 0.60
BMPR1A P36894 1/20 0.45

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
SCHEMBL16879398 0.83 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879670 0.83 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879552 0.83 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879273 0.80 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16888494 0.75 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879640 0.75 TGFBR1 (1.00) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879680 0.74 TGFBR1 (0.81) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL22270342 0.73 TGFBR1 (0.81) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879186 0.73 TGFBR1 (0.72) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16888478 0.73 TGFBR1 (0.76) TGFBR1ACVR1BACVRL1ACVR1

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-3089971-A1 COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-11-09 EP disclosed
WO-2015103355-A1 COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-09 WO disclosed