SCHEMBL30003588

SCHEMBL30003588

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nccc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 13/20 0.65
IGF1R P08069 13/20 0.65
ALK Q9UM73 13/20 0.65
EGFR P00533 7/20 0.61
STK10 O94804 2/20 0.61
ABL1 P00519 2/20 0.61
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
FES P07332 2/20 0.61
YES1 P07947 2/20 0.61
HCK P08631 2/20 0.61
ROS1 P08922 2/20 0.61
FER P16591 2/20 0.61
LTK P29376 2/20 0.61
FLT3 P36888 2/20 0.61
FRK P42685 2/20 0.61
PTK2 Q05397 2/20 0.61
BTK Q06187 2/20 0.61
CAMK2G Q13555 2/20 0.61
CAMK2D Q13557 2/20 0.61

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
SCHEMBL24327435 0.85 ALK (0.77) INSRIGF1RALKEGFRSTK10
SCHEMBL30378262 0.85 ALK (0.77) INSRIGF1RALKEGFRSTK10
SCHEMBL18912630 0.83 INSR (0.68) INSRIGF1RALKEGFRSTK10
SCHEMBL17059605 0.82 EGFR (0.83) INSRIGF1RALKEGFRSTK10
SCHEMBL26087590 0.82 ALK (0.73) INSRIGF1RALKEGFRSTK10
SCHEMBL15244473 0.82 INSR (0.68) INSRIGF1RALKEGFRSTK10
SCHEMBL30377906 0.81 ALK (0.86) INSRIGF1RALKEGFRSTK10
SCHEMBL22087947 0.81 INSR (0.76) INSRIGF1RALKEGFRSTK10
SCHEMBL26087740 0.81 ALK (0.86) INSRIGF1RALKEGFRSTK10
SCHEMBL26090325 0.81 ALK (0.82) INSRIGF1RALKEGFRSTK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320153-A1 METHODS FOR THE TREATMENT OF ANAPLASTIC LARGE CELL LYMPHOMA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2024-02-14 EP disclosed
WO-2022214681-A1 METHODS FOR THE TREATMENT OF ANAPLASTIC LARGE CELL LYMPHOMA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-10-13 WO disclosed