SCHEMBL30159366

SCHEMBL30159366

Nc1ncnc2[nH]c3ccccc3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.59
EGFR P00533 4/20 0.58
ABL1 P00519 1/20 0.49
ABL2 P42684 1/20 0.49
CA5A P35218 1/20 0.49
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MAPT P10636 2/20 0.46
RET P07949 5/20 0.46
KDR P35968 3/20 0.45
ALK Q9UM73 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
PDPK1 O15530 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL3473013 1.00 LIMK1 (0.59) LIMK1EGFRABL1ABL2CA5A
SCHEMBL2389718 0.79 EGFR (0.57) LIMK1EGFRABL1ABL2CA5A
SCHEMBL13209220 0.79 EGFR (0.57) LIMK1EGFRABL1ABL2CA5A
SCHEMBL30672219 0.79 EGFR (0.57) LIMK1EGFRABL1ABL2CA5A
SCHEMBL6884961 0.79 EGFR (0.57) LIMK1EGFRABL1ABL2CA5A
SCHEMBL23885372 0.78 LIMK1 (0.47) LIMK1RETKDR
SCHEMBL30052198 0.78 LIMK1 (0.47) LIMK1RETKDR
SCHEMBL1923985 0.78 EGFR (0.63) EGFRCA5AMAPTKDRKDM4E
Hydrochloric Acid SCHEMBL7218016 0.78 EGFR (0.55) LIMK1EGFRABL1ABL2CA5A
SCHEMBL13960264 0.77 CHEK1 (0.58) MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894861-A Novel tricyclic compounds as IRAK4 inhibitors 韩国化学研究院 2024-11-05 CN disclosed
CN-113227095-B Novel tricyclic compounds as IRAK4 inhibitors 韩国化学研究院 2024-07-05 CN disclosed
CN-117157297-A PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-12-01 CN disclosed
WO-2023001133-A1 PRMT5 INHIBITOR 上海齐鲁制药研究中心有限公司 2023-01-26 WO disclosed