SCHEMBL30508255

SCHEMBL30508255

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1C(=O)N1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.53
MERTK Q12866 4/20 0.53
LRRK2 Q5S007 2/20 0.52
ACVR1 Q04771 11/20 0.52
BMPR1B O00238 10/20 0.52
BMPR1A P36894 10/20 0.52
ACVRL1 P37023 10/20 0.52
TGFBR1 P36897 9/20 0.52
PIK3C3 Q8NEB9 1/20 0.50
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL30508363 0.90 AXL (0.52) AXLMERTKLRRK2ACVR1BMPR1B
SCHEMBL30508238 0.83 LRRK2 (0.57) AXLMERTKLRRK2ACVR1BMPR1B
SCHEMBL18611468 0.83 AXL (0.55) AXLMERTKLRRK2ACVR1BMPR1B
SCHEMBL18616317 0.82 ACVR1 (0.56) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29042028 0.82 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508297 0.82 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508325 0.80 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29041913 0.80 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29042029 0.80 AXL (0.58) AXLMERTKLRRK2ACVR1BMPR1B
SCHEMBL30508265 0.80 AXL (0.58) AXLMERTKLRRK2ACVR1BMPR1B

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
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed