SCHEMBL29114866

SCHEMBL29114866

CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5NS(C)(=O)=O)n4)cn3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.70
▸ ALK Q9UM73 5/20 0.63
▸ ROS1 P08922 3/20 0.63
▸ INSR P06213 2/20 0.58
▸ IGF1R P08069 2/20 0.58

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
SCHEMBL29904622 1.00 EGFR (0.70) EGFRALKROS1INSRIGF1R
SCHEMBL26906730 0.88 ALK (0.60) EGFRALKROS1INSRIGF1R
SCHEMBL29904684 0.88 ALK (0.60) EGFRALKROS1INSRIGF1R
SCHEMBL26906554 0.86 EGFR (0.68) EGFRALKINSRIGF1R
SCHEMBL29114873 0.83 ALK (0.74) EGFRALKROS1INSRIGF1R
SCHEMBL26906653 0.83 ALK (0.69) EGFRALKROS1INSRIGF1R
SCHEMBL30692634 0.82 EGFR (0.58) EGFRALKROS1INSRIGF1R
SCHEMBL26906712 0.82 EGFR (0.58) EGFRALKROS1INSRIGF1R
SCHEMBL21846986 0.82 EGFR (1.00) EGFRALKROS1INSRIGF1R
SCHEMBL26906637 0.82 EGFR (0.82) EGFRALKINSRIGF1R

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
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