SCHEMBL23988916

SCHEMBL23988916

CN1CCC(c2ccc(-c3cnc4c(-c5ccc(CN)c6ccccc56)cnn4c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 15/20 0.56
BMPR1B O00238 7/20 0.54
ACVRL1 P37023 7/20 0.54
BMPR1A P36894 7/20 0.54
ACVR1B P36896 6/20 0.54
TGFBR1 P36897 3/20 0.51
TGFBR2 P37173 3/20 0.51
KDR P35968 2/20 0.51
PRKAB1 Q9Y478 2/20 0.51
BMPR2 Q13873 1/20 0.51
BMP4 P12644 5/20 0.49
ACVR2A P27037 1/20 0.45
ACVR2B Q13705 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
SCHEMBL24412162 0.85 ACVR1 (0.56) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL23988691 0.85 ACVR1B (0.70) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL17448611 0.84 ACVR1 (0.55) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL17442003 0.84 ACVR1 (0.79) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL23988696 0.82 KDR (0.55) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL17442417 0.77 ACVR1 (0.72) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL24409612 0.77 ACVR1 (0.72) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL17442209 0.74 PRKAB1 (0.56) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL26867314 0.74 ACVR1 (0.47) ACVR1BMPR1BACVRL1BMPR1AACVR1B
SCHEMBL23988895 0.74 ACVR1 (0.49) ACVR1BMPR1BACVRL1BMPR1AACVR1B

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-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed