SCHEMBL30020501

SCHEMBL30020501

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 13/20 0.62
IGF1R P08069 13/20 0.62
ALK Q9UM73 13/20 0.62
EGFR P00533 6/20 0.58
PTK2 Q05397 3/20 0.58
STK10 O94804 2/20 0.58
ABL1 P00519 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
FES P07332 2/20 0.58
YES1 P07947 2/20 0.58
HCK P08631 2/20 0.58
ROS1 P08922 2/20 0.58
FER P16591 2/20 0.58
LTK P29376 2/20 0.58
FLT3 P36888 2/20 0.58
FRK P42685 2/20 0.58
BTK Q06187 2/20 0.58
CAMK2G Q13555 2/20 0.58
CAMK2D Q13557 2/20 0.58

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
SCHEMBL23901099 0.90 ALK (0.55) INSRIGF1RALKEGFRPTK2
SCHEMBL18912630 0.80 INSR (0.68) INSRIGF1RALKEGFRPTK2
SCHEMBL18970177 0.80 INSR (0.56) INSRIGF1RALKEGFRPTK2
SCHEMBL30003588 0.80 INSR (0.65) INSRIGF1RALKEGFRPTK2
SCHEMBL26087590 0.80 ALK (0.73) INSRIGF1RALKEGFRPTK2
SCHEMBL15244473 0.80 INSR (0.68) INSRIGF1RALKEGFRPTK2
SCHEMBL30957983 0.79 TTK (0.61) INSRIGF1RALKEGFRCAMK2D
SCHEMBL14180580 0.78 INSR (0.52) INSRIGF1RALKEGFRPTK2
SCHEMBL1044690 0.77 EGFR (0.59) INSRIGF1RALKEGFRPTK2
SCHEMBL1491729 0.77 ALK (0.77) INSRIGF1RALKEGFRPTK2

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-2022245085-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-11-24 WO disclosed