SCHEMBL23940756

SCHEMBL23940756

BC1CCC(NC(=O)c2cc(-c3ccccc3)cnc2N)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 15/20 0.62
▸ BMPR1A P36894 15/20 0.62
▸ ACVRL1 P37023 15/20 0.62
▸ ACVR1 Q04771 15/20 0.62
▸ TGFBR1 P36897 14/20 0.62
▸ PIK3C3 Q8NEB9 2/20 0.57
▸ PRKCI P41743 1/20 0.54
▸ MAP4K4 O95819 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL19806976 0.89 BMPR1B (0.77) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL24318078 0.89 BMPR1B (0.77) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806938 0.88 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806887 0.88 BMPR1B (0.72) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL5712357 0.81 PIK3C3 (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL6838760 0.79 MERTK (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29373251 0.78 BMPR1B (0.71) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995196 0.78 BMPR1B (0.71) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL4682526 0.76 PRKCI (0.67) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13187806 0.76 PRKCI (0.67) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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
EP-3971177-B1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2024-06-26 — — EP disclosed
EP-3487851-B1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2021-10-20 — — EP disclosed
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