SCHEMBL25639124

SCHEMBL25639124

CC(C)NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.82
BCR P11274 19/20 0.82
KDM4E B2RXH2 1/20 0.75
MAPT P10636 1/20 0.75
MAPK1 P28482 1/20 0.75

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
SCHEMBL13771172 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL10013582 0.88 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL924853 0.87 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29438984 0.86 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL925002 0.86 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29936260 0.86 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL924071 0.85 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29453036 0.85 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL13771516 0.82 ABL1 (0.72) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL22440745 0.81 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1

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-2023114759-A2 ABL INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-22 WO disclosed