SCHEMBL30860243

SCHEMBL30860243

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(C(F)(F)F)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)CCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.51
▸ MET P08581 2/20 0.51
▸ INSR P06213 3/20 0.49
▸ ALK Q9UM73 3/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ PLK1 P53350 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ PTK2 Q05397 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FER P16591 1/20 0.43
▸ EPHA1 P21709 1/20 0.43

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
SCHEMBL30860236 0.93 EGFR (0.55) EGFRMETINSRALKIGF1R
SCHEMBL30860286 0.92 EGFR (0.48) EGFRMETINSRALKIGF1R
SCHEMBL30860276 0.92 EGFR (0.52) EGFRMETINSRALKIGF1R
SCHEMBL26906601 0.91 EGFR (0.62) EGFRMETINSRALKIGF1R
SCHEMBL26906994 0.91 EGFR (0.61) EGFRMETINSRALKIGF1R
SCHEMBL30860290 0.90 EGFR (0.53) EGFRMETINSRALKIGF1R
SCHEMBL26906634 0.89 EGFR (0.59) EGFRMETINSRALKIGF1R
SCHEMBL26906629 0.88 EGFR (0.58) EGFRMETINSRALKIGF1R
SCHEMBL26906771 0.88 EGFR (0.58) EGFRMETINSRALKIGF1R
SCHEMBL26906950 0.88 EGFR (0.54) EGFRMETINSRALKIGF1R

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-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO claimed
WO-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO disclosed
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