SCHEMBL31017686

SCHEMBL31017686

Cc1nc(NCCN)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.85
ABL1 P00519 7/20 0.75
SRC P12931 6/20 0.75
MAPK14 Q16539 5/20 0.75
EGFR P00533 3/20 0.75
FYN P06241 3/20 0.75
YES1 P07947 3/20 0.75
LYN P07948 3/20 0.75
HCK P08631 3/20 0.75
KIT P10721 3/20 0.75
BCR P11274 3/20 0.75
MAPK13 O15264 2/20 0.75
ERBB2 P04626 2/20 0.75
FGR P09769 2/20 0.75
JAK3 P52333 2/20 0.75
MAPK12 P53778 2/20 0.75
MAPK11 Q15759 2/20 0.75
SIK1 P57059 2/20 0.66
SIK2 Q9H0K1 2/20 0.66
SIK3 Q9Y2K2 2/20 0.66

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
SCHEMBL1147077 1.00 LCK (0.85) LCKABL1SRCMAPK14EGFR
Ammonia Solution, Strong SCHEMBL31017653 0.99 LCK (0.84) LCKABL1SRCMAPK14EGFR
SCHEMBL31017685 0.93 LCK (0.80) LCKABL1SRCMAPK14EGFR
SCHEMBL773124 0.92 LCK (1.00) LCKABL1SRCMAPK14EGFR
SCHEMBL25737565 0.92 LCK (0.87) LCKABL1SRCMAPK14EGFR
SCHEMBL31634947 0.92 LCK (1.00) LCKABL1SRCMAPK14EGFR
SCHEMBL24535452 0.90 LCK (0.83) LCKABL1SRCMAPK14EGFR
SCHEMBL8213695 0.89 LCK (0.81) LCKABL1SRCMAPK14EGFR
SCHEMBL14067006 0.89 LCK (0.81) LCKABL1SRCMAPK14EGFR
SCHEMBL1704678 0.89 LCK (0.90) LCKABL1SRCMAPK14EGFR

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-4622947-A1 ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS Dana-Farber Cancer Institute, Inc. (US) 2025-10-01 EP disclosed
WO-2024112754-A1 ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-30 WO disclosed