SCHEMBL24255248

SCHEMBL24255248

COc1cc(N2CCN(I)CC2)ccc1Nc1ncc(Cl)c(NCc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.64
ALK Q9UM73 12/20 0.63
JAK2 O60674 4/20 0.63
SRC P12931 3/20 0.63
TNK2 Q07912 3/20 0.63
EGFR P00533 2/20 0.63
JAK1 P23458 1/20 0.63
TTK P33981 1/20 0.63
FLT3 P36888 1/20 0.63
TXK P42681 1/20 0.63
BLK P51451 1/20 0.63
BTK Q06187 1/20 0.63
ITK Q08881 1/20 0.63
INSR P06213 3/20 0.60
LRRK2 Q5S007 1/20 0.58
IGF1R P08069 2/20 0.57

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
SCHEMBL24255230 0.92 ALK (0.74) JAK3ALKJAK2SRCTNK2
SCHEMBL24255249 0.91 JAK3 (0.64) JAK3ALKJAK2SRCTNK2
SCHEMBL24255239 0.85 JAK3 (0.76) JAK3ALKJAK2SRCTNK2
SCHEMBL24255241 0.84 JAK3 (0.75) JAK3ALKJAK2SRCTNK2
SCHEMBL24255221 0.84 JAK3 (0.75) JAK3ALKJAK2SRCTNK2
SCHEMBL24255220 0.83 JAK3 (0.74) JAK3ALKJAK2SRCTNK2
SCHEMBL24255319 0.83 ALK (0.64) ALKJAK2SRCTNK2INSR
SCHEMBL24255315 0.82 ALK (0.67) ALKJAK2SRCTNK2EGFR
SCHEMBL24258099 0.81 JAK3 (0.71) JAK3ALKJAK2SRCTNK2
SCHEMBL17205279 0.81 EGFR (0.72) JAK3ALKJAK2SRCTNK2

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