SCHEMBL19806938

SCHEMBL19806938

CC1CCC(NC(=O)c2cc(-c3ccccc3)cnc2N)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 10/20 0.62
▸ BMPR1A P36894 10/20 0.62
▸ ACVRL1 P37023 10/20 0.62
▸ ACVR1 Q04771 10/20 0.62
▸ TGFBR1 P36897 9/20 0.62
▸ PIK3C3 Q8NEB9 2/20 0.60
▸ CNR1 P21554 2/20 0.57
▸ CNR2 P34972 2/20 0.57
▸ ATR Q13535 1/20 0.54
▸ PRKCI P41743 1/20 0.54
▸ AXL P30530 1/20 0.52
▸ MERTK Q12866 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51

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
SCHEMBL23940756 0.88 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806887 0.88 BMPR1B (0.72) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616701 0.85 BMPR1B (0.71) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL5712357 0.81 PIK3C3 (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL6838760 0.79 MERTK (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940708 0.78 BMPR1B (0.88) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806899 0.78 BMPR1B (0.88) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995196 0.78 BMPR1B (0.71) 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 4 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-3971177-A1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS Novartis AG (CH) 2022-03-23 — — EP disclosed
EP-3487851-B1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2021-10-20 — — EP disclosed
WO-2018014829-A1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2018-01-25 — — WO disclosed
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