SCHEMBL23940733

SCHEMBL23940733

Nc1ncc(-c2ccc([C@H]3CCN(CCN4CCOCC4)C3)cc2)cc1C(=O)NC1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 19/20 0.73
BMPR1A P36894 19/20 0.73
ACVRL1 P37023 19/20 0.73
ACVR1 Q04771 19/20 0.73
TGFBR1 P36897 18/20 0.73
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL19807041 1.00 BMPR1B (0.73) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806965 0.90 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940672 0.90 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806904 0.88 BMPR1B (0.65) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940470 0.87 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940691 0.87 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807060 0.87 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21027936 0.87 BMPR1B (0.69) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806891 0.86 BMPR1B (0.67) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940717 0.85 BMPR1B (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487851-B1 AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2021-10-20 EP disclosed