SCHEMBL30659734

SCHEMBL30659734

COc1nc(N2CCSCC2)ccc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.62
▸ ROS1 P08922 6/20 0.62
▸ EGFR P00533 13/20 0.59
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 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
SCHEMBL26906900 0.91 EGFR (0.59) ALKROS1EGFR
SCHEMBL26906870 0.90 EGFR (0.60) ALKROS1EGFRINSRIGF1R
SCHEMBL29904636 0.87 EGFR (0.58) ALKROS1EGFR
SCHEMBL29114865 0.87 EGFR (0.63) ALKROS1EGFRINSRIGF1R
SCHEMBL26906651 0.87 EGFR (0.66) ALKROS1EGFRINSRIGF1R
SCHEMBL29904679 0.87 EGFR (0.66) ALKROS1EGFRINSRIGF1R
SCHEMBL29904689 0.87 EGFR (0.63) ALKROS1EGFRINSRIGF1R
SCHEMBL25788902 0.79 EGFR (0.52) EGFR
SCHEMBL22595122 0.78 EGFR (0.75) EGFR
SCHEMBL30659720 0.77 ALK (0.53) ALKROS1EGFRINSR

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-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 — — CN claimed
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 — — CN disclosed
Send feedback