SCHEMBL23047347

SCHEMBL23047347

CC(C)(C)c1cc(Nc2ccc(Nc3ncnc(N)c3C(=N)c3ccc(Oc4ccccc4)cc3)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
RET P07949 1/20 0.40
RIPK2 O43353 1/20 0.39
BRAF P15056 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL19683697 0.92 RET (0.44) RAF1MAPK13MAPK12MAPK11RET
SCHEMBL20878886 0.91 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19683648 0.85 LCK (0.45) BTKRETBRAFFLT3
SCHEMBL23047310 0.85 RET (0.41) RAF1MAPK13MAPK12MAPK11RET
SCHEMBL19683646 0.85 RET (0.40) RAF1MAPK13MAPK12MAPK11EGFR
SCHEMBL19683630 0.84 RAF1 (0.47) RAF1MAPK13MAPK12MAPK11RET
SCHEMBL19683696 0.82 FLT3 (0.59) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19683701 0.82 FLT3 (0.44) EGFRBTKRETBRAFFLT3
SCHEMBL19683762 0.81 RET (0.45) RAF1MAPK13MAPK12MAPK11RET
SCHEMBL19683650 0.81 RET (0.38) RAF1MAPK13MAPK12MAPK11EGFR

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
EP-3466952-B1 1-(4-(4-AMINO-3-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)-PHENYL)-UREA DERIVATIVES AS FLT3 KINASE INHIBITORS FOR TREATING CANCER PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-03-03 EP disclosed