SCHEMBL23047351

SCHEMBL23047351

CN(C)CCN(C)c1ccc(C(=N)c2c(N)ncnc2Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.41
FLT3 P36888 3/20 0.40
RET P07949 8/20 0.39
NTRK1 P04629 2/20 0.37
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL19683646 0.90 RET (0.40) BRAFFLT3RETNTRK1NTRK3
SCHEMBL19683648 0.88 LCK (0.45) BRAFFLT3RETNTRK1
SCHEMBL19683697 0.84 RET (0.44) BRAFFLT3RETNTRK1NTRK3
SCHEMBL23047310 0.83 RET (0.41) BRAFFLT3RETNTRK1NTRK3
SCHEMBL19683630 0.82 RAF1 (0.47) BRAFFLT3RETNTRK1NTRK3
SCHEMBL19683716 0.81 BRAF (0.52) BRAFFLT3RETNTRK1NTRK3
SCHEMBL23047347 0.80 RAF1 (0.48) BRAFFLT3RET
SCHEMBL20878934 0.80 PRMT1 (0.37) BRAF
SCHEMBL20878925 0.79 RET (0.50) BRAFFLT3RETNTRK1NTRK3
SCHEMBL19683650 0.79 RET (0.38) BRAFFLT3RETNTRK1NTRK3

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