SCHEMBL30880717

SCHEMBL30880717

COc1cc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc(-n2ccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 12/20 0.65
RIPK2 O43353 8/20 0.60
NLK Q9UBE8 7/20 0.60
COQ8A Q8NI60 6/20 0.60
EPHB6 O15197 2/20 0.60
ABL1 P00519 2/20 0.60
LCK P06239 1/20 0.60
EPHA1 P21709 1/20 0.60
EPHA8 P29322 1/20 0.60
TXK P42681 1/20 0.60
MAPKAPK2 P49137 3/20 0.46
KDR P35968 1/20 0.46
MAPK14 Q16539 1/20 0.46
HTT P42858 1/20 0.42
EGFR P00533 2/20 0.41
STK16 O75716 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
ACVR1 Q04771 1/20 0.41
BMP2K Q9NSY1 1/20 0.40
IRAK3 Q9Y616 1/20 0.40

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
SCHEMBL30880519 0.93 GAK (0.59) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880597 0.89 GAK (0.55) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880531 0.89 GAK (0.58) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880707 0.89 GAK (0.58) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880482 0.89 GAK (0.50) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880567 0.87 GAK (0.63) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880706 0.86 GAK (0.80) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880499 0.86 GAK (0.57) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880564 0.86 GAK (0.57) GAKRIPK2NLKCOQ8AEPHB6
SCHEMBL30880737 0.86 GAK (0.57) GAKRIPK2NLKCOQ8AEPHB6

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-2024078513-A1 CONDENSED AZINES FOR TREATING CANCER CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) 2024-04-18 WO disclosed