SCHEMBL29114861

SCHEMBL29114861

COc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC2CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.66
▸ INSR P06213 10/20 0.66
▸ IGF1R P08069 9/20 0.66
▸ ROS1 P08922 7/20 0.65
▸ EGFR P00533 6/20 0.63
▸ FGFR1 P11362 3/20 0.63
▸ FGFR2 P21802 3/20 0.63
▸ FGFR4 P22455 3/20 0.63
▸ FGFR3 P22607 3/20 0.63
▸ MET P08581 3/20 0.63
▸ ZAP70 P43403 2/20 0.63
▸ CHEK1 O14757 2/20 0.63
▸ AURKA O14965 2/20 0.63
▸ NUAK1 O60285 2/20 0.63
▸ JAK2 O60674 2/20 0.63
▸ STK10 O94804 2/20 0.63
▸ PRKD3 O94806 2/20 0.63
▸ CHEK2 O96017 2/20 0.63
▸ ABL1 P00519 2/20 0.63
▸ ERBB2 P04626 2/20 0.63

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
SCHEMBL26906797 0.93 ALK (0.68) ALKINSRIGF1RROS1EGFR
SCHEMBL29904644 0.85 ALK (0.68) ALKINSRIGF1RROS1EGFR
SCHEMBL26906878 0.85 ALK (0.73) ALKINSRIGF1RROS1EGFR
SCHEMBL22462106 0.84 INSR (0.77) ALKINSRIGF1RROS1EGFR
SCHEMBL26906710 0.81 ALK (0.65) ALKINSRIGF1RROS1EGFR
SCHEMBL29904662 0.81 ALK (0.65) ALKINSRIGF1RROS1EGFR
SCHEMBL12780248 0.81 ALK (0.81) ALKINSRIGF1RROS1EGFR
SCHEMBL26906661 0.81 ALK (0.87) ALKINSRIGF1RROS1EGFR
SCHEMBL24620263 0.80 ALK (0.59) ALKINSRIGF1RROS1EGFR
SCHEMBL29904632 0.80 ALK (0.71) ALKINSRIGF1RROS1EGFR

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