SCHEMBL23988838

SCHEMBL23988838

COc1cc(F)c2nccc(-c3cnn4cc(C)cnc34)c2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 18/20 0.62
▸ TGFBR2 P37173 2/20 0.47
▸ ACVR2A P27037 1/20 0.47
▸ BMP4 P12644 3/20 0.47
▸ BMPR1B O00238 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ BMPR1A P36894 2/20 0.47
▸ ACVRL1 P37023 2/20 0.47
▸ ACVR1B P36896 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL23989003 0.82 ACVR1 (0.77) ACVR1
SCHEMBL23988847 0.81 ACVR1 (0.60) ACVR1TGFBR2ACVR2ABMP4BMPR1B
SCHEMBL23988861 0.79 BMP4 (0.64) ACVR1TGFBR2ACVR2ABMP4BMPR1B
SCHEMBL23988699 0.78 ACVR1 (0.69) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22075498 0.77 ACVR1 (1.00) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL22074625 0.77 ACVR1 (0.86) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL23988887 0.76 ACVR1 (0.61) ACVR1TGFBR2ACVR2ABMP4BMPR1B
SCHEMBL23988890 0.75 ACVR1 (0.61) ACVR1
SCHEMBL23988744 0.73 ACVR1 (0.60) ACVR1
SCHEMBL23988869 0.73 ACVR1 (0.58) ACVR1TGFBR2BMP4BMPR1BKDR

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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