SCHEMBL16588513

SCHEMBL16588513

CC(=O)Nc1cnc(CNc2cc(NC(=O)c3ccc(CN4CCN(CCI)CC4)c(C(F)(F)F)c3)ccc2C)cn1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.71
▸ BRAF P15056 7/20 0.57
▸ EGFR P00533 6/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ DDR1 Q08345 1/20 0.55
▸ KIT P10721 5/20 0.53
▸ CSF1R P07333 4/20 0.53

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
SCHEMBL2226738 0.92 RAD52 (0.82) RAD52BRAFEGFRDDR1
SCHEMBL19986863 0.86 RAD52 (0.71) RAD52BRAFEGFRABL1DDR1
SCHEMBL19986849 0.86 RAD52 (0.81) RAD52DDR1
SCHEMBL17208696 0.85 RAD52 (0.80) RAD52DDR1
SCHEMBL17208720 0.85 RAD52 (0.95) RAD52DDR1
SCHEMBL17208642 0.85 RAD52 (0.79) RAD52ABL1DDR1KIT
SCHEMBL22457642 0.84 RAD52 (0.78) RAD52DDR1
SCHEMBL2228555 0.84 RAD52 (0.84) RAD52DDR1
SCHEMBL17208643 0.83 RAD52 (0.67) RAD52BRAFEGFRABL1
SCHEMBL2280193 0.82 RAD52 (0.75) RAD52BRAFEGFRDDR1

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
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
EP-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 — — EP disclosed
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