SCHEMBL23988839

SCHEMBL23988839

COc1cc(C)c2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 20/20 0.77
▸ BMPR1B O00238 1/20 0.66
▸ BMPR1A P36894 1/20 0.66
▸ ACVR1B P36896 1/20 0.66
▸ TGFBR1 P36897 1/20 0.66

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
SCHEMBL22074625 0.91 ACVR1 (0.86) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22074098 0.87 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22077951 0.85 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22074568 0.85 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL25606530 0.85 ACVR1 (0.94) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22074629 0.85 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22074624 0.84 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22075498 0.84 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22077475 0.83 ACVR1 (0.93) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL25607026 0.83 ACVR1 (0.79) ACVR1BMPR1BBMPR1AACVR1BTGFBR1

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
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