SCHEMBL21099428

SCHEMBL21099428

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2SC)c2sccc2n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.60
PTK2 Q05397 3/20 0.57
EGFR P00533 5/20 0.56
INSR P06213 7/20 0.53
IGF1R P08069 7/20 0.53
MAP3K7 O43318 1/20 0.50
AXL P30530 1/20 0.49
PLK1 P53350 1/20 0.48

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
SCHEMBL21099421 0.94 ALK (0.63) ALKPTK2EGFRINSRIGF1R
SCHEMBL21099505 0.92 ALK (0.59) ALKPTK2EGFRINSRIGF1R
SCHEMBL21100267 0.92 ALK (0.61) ALKPTK2EGFRINSRIGF1R
SCHEMBL21099614 0.91 ALK (0.59) ALKPTK2EGFRINSRIGF1R
SCHEMBL21099507 0.87 ALK (0.59) ALKPTK2EGFRINSRIGF1R
SCHEMBL21099658 0.86 ALK (0.60) ALKPTK2EGFRINSRIGF1R
SCHEMBL21099509 0.86 ALK (0.58) ALKPTK2EGFRINSRIGF1R
SCHEMBL21149595 0.86 EGFR (0.71) ALKPTK2EGFR
SCHEMBL21099503 0.86 ALK (0.60) ALKPTK2EGFRINSRIGF1R
SCHEMBL19867179 0.86 ALK (0.70) ALKPTK2EGFRINSRIGF1R

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