SCHEMBL21099658

SCHEMBL21099658

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.60
INSR P06213 13/20 0.59
IGF1R P08069 13/20 0.59
PTK2 Q05397 4/20 0.57
EGFR P00533 5/20 0.56
STK10 O94804 3/20 0.56
ABL1 P00519 3/20 0.56
LCK P06239 3/20 0.56
FYN P06241 3/20 0.56
FES P07332 3/20 0.56
YES1 P07947 3/20 0.56
HCK P08631 3/20 0.56
ROS1 P08922 3/20 0.56
FER P16591 3/20 0.56
LTK P29376 3/20 0.56
FLT3 P36888 3/20 0.56
FRK P42685 3/20 0.56
BTK Q06187 3/20 0.56
CAMK2G Q13555 3/20 0.56
CAMK2D Q13557 3/20 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
SCHEMBL21099498 0.96 ALK (0.60) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099421 0.93 ALK (0.63) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099605 0.91 ALK (0.62) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099499 0.90 ALK (0.75) ALKINSRIGF1REGFRROS1
SCHEMBL21099502 0.89 ALK (0.59) ALKINSRIGF1RPTK2EGFR
SCHEMBL19921194 0.88 ALK (0.59) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099821 0.87 ALK (0.60) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099617 0.87 LRRK2 (0.53) ALKINSRIGF1RPTK2EGFR
SCHEMBL21099428 0.86 ALK (0.60) ALKINSRIGF1RPTK2EGFR
SCHEMBL18637132 0.86 ALK (0.81) 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