SCHEMBL28239376

SCHEMBL28239376

COc1ncccc1C(=O)NCc1cc[c]cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPK8 P45983 1/20 0.58
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.54
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8373056 0.86 HPGD (0.72) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL18715343 0.86 HPGD (0.79) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL29617700 0.82 HPGD (0.64) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL7847972 0.82 LMNA (0.64) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL18641858 0.82 HPGD (0.64) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL28409688 0.80 HPGD (0.67) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL23136224 0.79 GAA (0.60) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL30989963 0.79 HPGD (0.65) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL28239383 0.79 HPGD (0.78) HPGDLMNASMN1; SMN2KMT2APOLB
SCHEMBL28239389 0.78 EGLN1 (0.60) HPGDSMN1; SMN2MAPK8KMT2AMAPT

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-108431007-A PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER 洛克索肿瘤学股份有限公司 2018-08-21 CN disclosed