SCHEMBL18970177

SCHEMBL18970177

CNc1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 13/20 0.56
IGF1R P08069 13/20 0.56
ALK Q9UM73 13/20 0.56
PTK2 Q05397 5/20 0.52
EGFR P00533 4/20 0.52
STK10 O94804 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
FES P07332 2/20 0.52
YES1 P07947 2/20 0.52
HCK P08631 2/20 0.52
ROS1 P08922 2/20 0.52
FER P16591 2/20 0.52
LTK P29376 2/20 0.52
FLT3 P36888 2/20 0.52
FRK P42685 2/20 0.52
BTK Q06187 2/20 0.52
CAMK2G Q13555 2/20 0.52
CAMK2D Q13557 2/20 0.52

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
SCHEMBL14180580 0.95 INSR (0.52) INSRIGF1RALKPTK2EGFR
SCHEMBL14180585 0.90 L3MBTL3 (0.51) INSRIGF1RALKPTK2EGFR
SCHEMBL14180564 0.88 L3MBTL3 (0.54) INSRIGF1RALKEGFRPLK1
SCHEMBL12718983 0.88 SIRT6 (0.56) INSRALKPTK2EGFRNPM1
SCHEMBL17197436 0.86 TTK (0.52) INSRIGF1RALKPTK2EGFR
SCHEMBL14180582 0.86 TSHR (0.48) INSRIGF1RALK
SCHEMBL1911839 0.84 INSR (0.51) INSRIGF1RALKPTK2EGFR
SCHEMBL14180584 0.84 LRRK2 (0.48) INSRIGF1RALKPTK2LRRK2
SCHEMBL19313036 0.83 ALDH1A1 (0.44) INSRIGF1RALKPTK2EGFR
SCHEMBL517468 0.83 ALK (0.50) INSRIGF1RALKPTK2EGFR

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
WO-2017097113-A1 AMINOPYRIMIDINE COMPOUNDS FOR INHIBITING ACITIVITY OF PROTEIN TYROSINE KINASE 深圳市塔吉瑞生物医药有限公司 2017-06-15 WO disclosed