SCHEMBL29904625

SCHEMBL29904625

COc1cc(N2CCC(N3CCC(N(C)C)C3)CC2)c(Br)cc1Nc1ncc(Cl)c(Nc2cc3c(cc2NS(C)(=O)=O)CCO3)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.53
▸ ALK Q9UM73 1/20 0.47
▸ LRRK2 Q5S007 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
SCHEMBL26906752 1.00 EGFR (0.53) EGFRALKLRRK2
SCHEMBL26906679 0.96 EGFR (0.51) EGFRLRRK2
SCHEMBL30659887 0.96 EGFR (0.51) EGFRLRRK2
SCHEMBL26906747 0.93 EGFR (0.57) EGFRALK
SCHEMBL26906748 0.91 EGFR (0.52) EGFRLRRK2
SCHEMBL26906831 0.91 EGFR (0.57) EGFR
SCHEMBL26906555 0.90 EGFR (0.61) EGFRALKLRRK2
SCHEMBL30860343 0.90 EGFR (0.61) EGFRALKLRRK2
SCHEMBL30860310 0.90 EGFR (0.54) EGFRALKLRRK2
SCHEMBL26906576 0.90 EGFR (0.54) EGFRALK

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
EP-4286376-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME Therapex Co., Ltd. (KR) 2023-12-06 — — EP 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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