SCHEMBL25824263

SCHEMBL25824263

O=C(NCCO)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1

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 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 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
SCHEMBL3902519 0.95 ABL1 (0.80) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29453036 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL924071 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3904982 0.84 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3973004 0.84 ABL1 (0.85) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3399317 0.83 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL25735738 0.83 ABL1 (0.86) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16363368 0.82 ABL1 (0.71) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3397871 0.82 ABL1 (0.71) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3400290 0.82 ABL1 (0.71) 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-2023130150-A2 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-06 WO disclosed