SCHEMBL30508300

SCHEMBL30508300

Nc1ncc(-c2ccc3c(cnn3C3CCOCC3)c2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.45
BMPR1B O00238 8/20 0.44
BMPR1A P36894 8/20 0.44
TGFBR1 P36897 8/20 0.44
ACVRL1 P37023 8/20 0.44
ACVR1 Q04771 8/20 0.44
MAPK1 P28482 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL30508250 0.94 WNT1 (0.43) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508281 0.91 BMPR1B (0.43) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508271 0.91 BMPR1B (0.43) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508361 0.89 PIK3CD (0.45) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29152374 0.89 PIK3CD (0.45) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508187 0.84 GPR119 (0.44) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042057 0.84 GPR119 (0.44) PIK3CDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508213 0.84 BMPR1B (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508174 0.84 BMPR1B (0.63) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041984 0.83 MAPK1 (0.42) PIK3CDMAPK1RXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed