SCHEMBL30508321

SCHEMBL30508321

CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cnc2N)CO1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.57
MERTK Q12866 6/20 0.57
ACVR1 Q04771 14/20 0.55
BMPR1B O00238 13/20 0.55
BMPR1A P36894 13/20 0.55
ACVRL1 P37023 13/20 0.55
TGFBR1 P36897 12/20 0.55

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
SCHEMBL30508357 0.87 AXL (0.59) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508325 0.85 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29041913 0.85 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29041996 0.81 BMPR1B (0.62) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508231 0.81 BMPR1B (0.62) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508192 0.79 BMPR1B (0.58) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL29042028 0.79 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL30508297 0.79 ACVR1 (0.67) AXLMERTKACVR1BMPR1BBMPR1A
SCHEMBL19806892 0.79 ACVR1 (0.77) ACVR1BMPR1BBMPR1AACVRL1TGFBR1
SCHEMBL30508265 0.75 AXL (0.58) AXLMERTKACVR1BMPR1BBMPR1A

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