SCHEMBL23988915

SCHEMBL23988915

NSc1ccc(-c2cnn3cc(-c4ccc(C5(N)CCC5)cc4)cnc23)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 14/20 0.70
BMPR1A P36894 7/20 0.70
BMP4 P12644 5/20 0.46
ACVR1B P36896 7/20 0.45
TGFBR1 P36897 5/20 0.45
TGFBR2 P37173 5/20 0.45
BMPR1B O00238 5/20 0.45
ACVRL1 P37023 5/20 0.45
ACVR2A P27037 2/20 0.45
ACVR2B Q13705 2/20 0.45
KDR P35968 4/20 0.43
PRKAB1 Q9Y478 4/20 0.43
BMPR2 Q13873 3/20 0.43
RIPK2 O43353 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42

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
SCHEMBL24409646 0.96 ACVR1 (0.65) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL24412126 0.89 ACVR1 (0.57) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL24425291 0.89 ACVR1 (0.57) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL17448569 0.83 ACVR1 (0.69) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL23989010 0.83 ACVR1 (0.50) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL17442276 0.83 ACVR1 (1.00) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL23988690 0.82 KDR (0.55) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL24409829 0.80 ACVR1 (0.71) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL17448643 0.79 ACVR1 (0.64) ACVR1BMPR1ABMP4ACVR1BTGFBR1
SCHEMBL23989019 0.79 ACVR1 (0.69) ACVR1BMPR1ABMP4ACVR1BTGFBR1

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
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed