SCHEMBL21100257

SCHEMBL21100257

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2P(C)C)c2sccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.62
▸ INSR P06213 15/20 0.62
▸ IGF1R P08069 15/20 0.62
▸ PTK2 Q05397 2/20 0.59
▸ EGFR P00533 3/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ NUAK1 O60285 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ SLC34A2 O95436 1/20 0.56
▸ CHEK2 O96017 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ CD74 P04233 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ FES P07332 1/20 0.56
▸ CSF1R P07333 1/20 0.56

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
SCHEMBL21099579 0.95 ALK (0.59) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099507 0.94 ALK (0.59) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099821 0.92 ALK (0.60) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099624 0.89 ALK (0.73) ALKINSRIGF1REGFRAURKA
SCHEMBL21099421 0.88 ALK (0.63) ALKINSRIGF1RPTK2EGFR
SCHEMBL19867180 0.87 ALK (0.75) ALKINSRIGF1RPTK2EGFR
SCHEMBL21149605 0.86 ALK (0.77) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099882 0.86 ALK (0.66) ALKINSRIGF1RPTK2EGFR
SCHEMBL21150067 0.86 EGFR (0.75) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099509 0.86 ALK (0.58) ALKINSRIGF1RPTK2EGFR

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-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 — — EP disclosed
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