SCHEMBL13504307

SCHEMBL13504307

CCn1c(Nc2ccccc2F)nc2cc(Oc3ccnc(C(=O)N(C)CCN(C)C)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.52
BRAF P15056 15/20 0.52
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
LCK P06239 1/20 0.41
P2RX3 P56373 2/20 0.41

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
SCHEMBL2891464 0.91 BRAF (0.57) RAF1BRAFLCK
SCHEMBL2892279 0.86 BRAF (0.57) RAF1BRAFLCK
SCHEMBL2895398 0.83 RAF1 (0.58) RAF1BRAFLCK
SCHEMBL2894193 0.81 BRAF (0.54) RAF1BRAFLCK
SCHEMBL2895104 0.81 RAF1 (0.57) RAF1BRAFLCK
SCHEMBL2891664 0.79 RAF1 (0.61) RAF1BRAFLCK
SCHEMBL2893405 0.78 BRAF (0.67) RAF1BRAFLCK
SCHEMBL2886836 0.76 RAF1 (0.57) RAF1BRAFLCK
SCHEMBL2892768 0.75 BRAF (0.62) RAF1BRAFLCK
SCHEMBL2891778 0.75 BRAF (0.67) RAF1BRAFLCKP2RX3

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