SCHEMBL28899640

SCHEMBL28899640

Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.81

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
SCHEMBL3213197 0.91 SMO (0.77) SMO
SCHEMBL30090692 0.91 SMO (0.77) SMO
SCHEMBL3206860 0.90 SMO (1.00) SMO
SCHEMBL13534433 0.86 SMO (0.87) SMO
SCHEMBL13534259 0.86 SMO (0.85) SMO
SCHEMBL30090553 0.85 SMO (0.80) SMO
SCHEMBL1834663 0.85 SMO (0.80) SMO
SCHEMBL13491125 0.85 SMO (1.00) SMO
SCHEMBL15016148 0.85 SMO (0.62) SMO
SCHEMBL3209606 0.83 SMO (0.88) SMO

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
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed