SCHEMBL21099619

SCHEMBL21099619

CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.53
▸ MAPK7 Q13164 7/20 0.53
▸ BRD4 O60885 5/20 0.53
▸ BRDT Q58F21 3/20 0.53
▸ DCLK1 O15075 2/20 0.53
▸ KCNH2 Q12809 1/20 0.46
▸ INSR P06213 2/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ ALK Q9UM73 2/20 0.45
▸ PTK2 Q05397 2/20 0.44
▸ IRAK4 Q9NWZ3 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
SCHEMBL21099617 0.93 LRRK2 (0.53) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL19921121 0.89 LRRK2 (0.52) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL21150898 0.88 ALK (0.56) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL19921183 0.82 LRRK2 (0.54) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL21099501 0.82 ALK (0.52) INSRIGF1RALKPTK2
SCHEMBL21150135 0.81 ALK (0.64) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL21099489 0.80 ALK (0.54) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL21099658 0.80 ALK (0.60) LRRK2MAPK7DCLK1INSRIGF1R
SCHEMBL19921077 0.77 MAPK7 (0.54) LRRK2MAPK7BRD4BRDTDCLK1
SCHEMBL21099498 0.76 ALK (0.60) LRRK2MAPK7DCLK1INSRIGF1R

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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