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SCHEMBL29904653

SCHEMBL29904653

COc1nc(N2CCN(C3COC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NS(C)(=O)=O)n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROS1 P08922 6/20 0.65
▸ ALK Q9UM73 6/20 0.65
▸ EGFR P00533 14/20 0.55
▸ LRRK2 Q5S007 1/20 0.53

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
SCHEMBL26906963 1.00 ROS1 (0.65) ROS1ALKEGFRLRRK2
SCHEMBL29904632 0.89 ALK (0.71) ROS1ALKEGFR
SCHEMBL26906765 0.89 ALK (0.71) ROS1ALKEGFR
SCHEMBL27115493 0.87 ALK (0.75) ROS1ALKEGFRLRRK2
SCHEMBL27119073 0.87 ROS1 (0.70) ROS1ALKEGFRLRRK2
SCHEMBL29904633 0.87 ROS1 (0.70) ROS1ALKEGFRLRRK2
SCHEMBL29904621 0.86 ALK (0.68) ROS1ALKEGFR
SCHEMBL26906503 0.86 ALK (0.68) ROS1ALKEGFR
SCHEMBL29904688 0.85 ROS1 (0.56) ROS1ALKEGFRLRRK2
SCHEMBL26906877 0.85 ROS1 (0.56) ROS1ALKEGFRLRRK2

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