SCHEMBL26906880

SCHEMBL26906880

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2ccc(F)cc2CS(N)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.57
▸ ALK Q9UM73 9/20 0.54
▸ INSR P06213 8/20 0.54
▸ IGF1R P08069 8/20 0.54
▸ MET P08581 2/20 0.51
▸ BMPR1B O00238 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ STK25 O00506 1/20 0.49
▸ RIOK3 O14730 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ CASK O14936 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ DCLK1 O15075 1/20 0.49
▸ MUSK O15146 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ MAP3K13 O43283 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49

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
SCHEMBL26907006 0.88 EGFR (0.63) EGFRALKINSRIGF1R
SCHEMBL25450066 0.86 ALK (0.68) EGFRALKINSRIGF1RMET
SCHEMBL25450065 0.86 EGFR (0.56) EGFRALKINSRIGF1RMET
SCHEMBL26906603 0.82 EGFR (0.59) EGFRALKINSRIGF1RMET
SCHEMBL26906674 0.82 EGFR (0.64) EGFRALKINSRIGF1R
SCHEMBL27119965 0.82 EGFR (0.62) EGFRALKINSRIGF1RMET
SCHEMBL30692637 0.82 EGFR (0.62) EGFRALKINSRIGF1RMET
SCHEMBL26906532 0.82 EGFR (0.64) EGFRALKINSRIGF1R
SCHEMBL26906884 0.81 EGFR (0.59) EGFRALKINSRIGF1R
SCHEMBL30860756 0.81 EGFR (0.55) EGFRALKINSRIGF1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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