SCHEMBL23988922

SCHEMBL23988922

Cc1ccc(-c2cnc3c(-c4cc(N)cc5ccccc45)cnn3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
ACVR1 Q04771 11/20 0.50
BMPR1B O00238 9/20 0.50
BMPR1A P36894 8/20 0.50
ACVR1B P36896 8/20 0.50
ACVRL1 P37023 8/20 0.50
BMP4 P12644 4/20 0.48
TGFBR1 P36897 2/20 0.47
TGFBR2 P37173 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
GAK O14976 1/20 0.44
BMPR2 Q13873 1/20 0.44

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
SCHEMBL23988798 0.85 KDR (0.60) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL19110498 0.82 ACVR1 (0.59) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL24409693 0.82 ACVR1 (0.70) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL17442217 0.82 ACVR1 (0.72) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL23988686 0.81 KDR (0.58) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23988822 0.81 ACVR1 (0.72) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23989017 0.79 BMP4 (0.60) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23988918 0.79 ACVR1 (0.69) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23988800 0.77 KDR (0.59) KDRACVR1BMPR1BBMPR1AACVR1B
SCHEMBL23988808 0.77 KDR (0.58) KDRACVR1BMPR1BBMPR1AACVR1B

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