SCHEMBL21099501

SCHEMBL21099501

CCOc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.52
▸ IGF1R P08069 7/20 0.47
▸ INSR P06213 6/20 0.47
▸ PTK2 Q05397 2/20 0.46
▸ EGFR P00533 3/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ MAP3K7 O43318 1/20 0.41

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
SCHEMBL21099489 0.92 ALK (0.54) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099658 0.86 ALK (0.60) ALKIGF1RINSRPTK2EGFR
SCHEMBL19867338 0.85 ALK (0.71) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099502 0.85 ALK (0.59) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099605 0.84 ALK (0.62) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099556 0.84 IRAK4 (0.56) ALKPTK2EGFRMAP3K7
SCHEMBL21100183 0.83 ALK (0.56) ALKIGF1RINSRPTK2EGFR
SCHEMBL19867178 0.83 ALK (0.52) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099428 0.83 ALK (0.60) ALKIGF1RINSRPTK2EGFR
SCHEMBL21099499 0.83 ALK (0.75) ALKIGF1RINSREGFR

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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