SCHEMBL21099489

SCHEMBL21099489

CCOc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.54
▸ PLK4 O00444 2/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ TNK2 Q07912 1/20 0.47
▸ MAPK7 Q13164 1/20 0.47
▸ TNK1 Q13470 1/20 0.47
▸ RPS6KA2 Q15349 1/20 0.47
▸ RPS6KA1 Q15418 1/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ DCLK2 Q8N568 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ INSR P06213 5/20 0.46
▸ IGF1R P08069 5/20 0.46
▸ TTK P33981 4/20 0.45
▸ GAK O14976 1/20 0.45

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
SCHEMBL21099605 0.93 ALK (0.62) ALKPTK2INSRIGF1RTTK
SCHEMBL21100183 0.92 ALK (0.56) ALKDCLK1PTK2MAPK7LRRK2
SCHEMBL21099501 0.92 ALK (0.52) ALKPTK2TNK2INSRIGF1R
SCHEMBL21099488 0.86 ALK (0.73) ALKPLK4DCLK1RPS6KA3PTK2
SCHEMBL21100193 0.85 IRAK4 (0.59) ALKBRD4LRRK2PLK1IRAK4
SCHEMBL21099658 0.84 ALK (0.60) ALKPLK4DCLK1RPS6KA3PTK2
SCHEMBL21099499 0.84 ALK (0.75) ALKINSRIGF1RPLK1EGFR
SCHEMBL21099498 0.84 ALK (0.60) ALKPLK4DCLK1RPS6KA3PTK2
SCHEMBL21099810 0.84 IRAK4 (0.46) ALKTTKPLK1IRAK4EGFR
SCHEMBL21099502 0.83 ALK (0.59) ALKPLK4DCLK1RPS6KA3PTK2

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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