SCHEMBL24255315

SCHEMBL24255315

COc1cc(N2CCN(I)CC2)ccc1Nc1ncc(Cl)c(NCC2CCOCC2)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.67
INSR P06213 6/20 0.67
JAK2 O60674 3/20 0.66
SRC P12931 3/20 0.66
TNK2 Q07912 3/20 0.66
LRRK2 Q5S007 4/20 0.65
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
MAPK10 P53779 1/20 0.57
IGF1R P08069 1/20 0.56
EGFR P00533 1/20 0.56
ZAP70 P43403 1/20 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
SCHEMBL24255323 0.93 ALK (0.57) ALKINSRJAK2SRCTNK2
SCHEMBL24255302 0.92 ALK (0.77) ALKINSRJAK2SRCTNK2
SCHEMBL24258128 0.92 ALK (0.57) ALKINSRJAK2SRCTNK2
SCHEMBL24255319 0.92 ALK (0.64) ALKINSRJAK2SRCTNK2
SCHEMBL24255310 0.89 ALK (0.74) ALKLRRK2
SCHEMBL24258122 0.88 LRRK2 (0.53) ALKINSRJAK2SRCTNK2
SCHEMBL24255320 0.88 LRRK2 (0.63) ALKINSRJAK2SRCTNK2
SCHEMBL26270495 0.85 ALK (0.66) ALKINSRJAK2SRCTNK2
SCHEMBL24255247 0.85 TNK2 (0.65) ALKJAK2SRCTNK2LRRK2
SCHEMBL24258116 0.84 ALK (0.66) ALKINSRJAK2SRCTNK2

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-2022036312-A2 INHIBITORS OF ACK1/TNK1 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-02-17 WO disclosed