SCHEMBL13559503

SCHEMBL13559503

CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)c(-c5cccs5)c4)n(C)c3cc2OC)ccn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.53
BRAF P15056 16/20 0.53
KDR P35968 2/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
P2RX3 P56373 1/20 0.43

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
SCHEMBL2889360 0.89 RAF1 (0.68) RAF1BRAFKDRLCKFYN
SCHEMBL13504314 0.86 BRAF (0.56) RAF1BRAFKDRLCKFYN
SCHEMBL13504208 0.85 RAF1 (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL2886503 0.85 RAF1 (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL2891925 0.84 RAF1 (0.64) RAF1BRAFKDRLCKFYN
SCHEMBL2890113 0.83 RAF1 (0.53) RAF1BRAFKDRLCKFYN
SCHEMBL3022182 0.83 RAF1 (0.61) RAF1BRAFKDRLCKFYN
SCHEMBL2893281 0.81 RAF1 (0.76) RAF1BRAFKDRLCKFYN
SCHEMBL2891474 0.81 RAF1 (0.63) RAF1BRAFKDRLCKFYN
SCHEMBL13504299 0.81 RAF1 (0.65) RAF1BRAFKDRLCKFYN

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
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed