SCHEMBL29904629

SCHEMBL29904629

COc1nc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3ncccc3c2NS(C)(=O)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.58
▸ ROS1 P08922 6/20 0.58
▸ EGFR P00533 8/20 0.52
▸ LRRK2 Q5S007 1/20 0.51
▸ INSR P06213 2/20 0.50
▸ IGF1R P08069 2/20 0.50
▸ ZAP70 P43403 1/20 0.47

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
SCHEMBL26906759 1.00 ALK (0.58) ALKROS1EGFRLRRK2INSR
SCHEMBL29114868 0.89 ALK (0.52) ALKROS1EGFRLRRK2INSR
SCHEMBL29114929 0.86 ROS1 (0.55) ALKROS1EGFRLRRK2
SCHEMBL29904627 0.85 ALK (0.64) ALKROS1EGFRLRRK2INSR
SCHEMBL26907011 0.85 ALK (0.64) ALKROS1EGFRLRRK2INSR
SCHEMBL26906784 0.83 EGFR (0.59) ALKROS1EGFRLRRK2INSR
SCHEMBL26906834 0.80 ALK (0.65) ALKROS1EGFRLRRK2INSR
SCHEMBL26906565 0.80 EGFR (0.58) ALKEGFRINSRIGF1R
SCHEMBL27076002 0.77 EGFR (0.62) ALKEGFRLRRK2INSRIGF1R
SCHEMBL29904632 0.77 ALK (0.71) ALKROS1EGFRINSRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 — — WO 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
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 — — WO disclosed
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