SCHEMBL17208641

SCHEMBL17208641

CNC(=O)Nc1cnc(CNc2cc(OC)cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.54
▸ MAPT P10636 7/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ ATM Q13315 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ UBE2N P61088 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ FGFR1 P11362 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ EGFR P00533 3/20 0.50
▸ BRAF P15056 3/20 0.50
▸ SRC P12931 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ KIT P10721 1/20 0.49
▸ FGFR4 P22455 1/20 0.49

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
SCHEMBL17208695 0.93 RAD52 (0.62) RAD52MAPTKMT2AATMNPSR1
SCHEMBL17208640 0.93 ABL1 (0.56) RAD52MAPTKMT2AATMNPSR1
SCHEMBL17208621 0.80 DDR1 (0.68) MAPTKMT2AATMNPSR1EGFR
SCHEMBL17208648 0.79 EGFR (0.59) MAPTKMT2AATMNPSR1KDM4E
SCHEMBL17208696 0.78 RAD52 (0.80) RAD52ATM
SCHEMBL30466487 0.76 KIT (0.70) MAPTKMT2ANPSR1FGFR1KDR
SCHEMBL17208643 0.76 RAD52 (0.67) RAD52EGFRBRAF
SCHEMBL17208617 0.75 EGFR (0.60) RAD52MAPTKMT2AATMNPSR1
SCHEMBL28516136 0.72 ABL1 (0.87) FGFR1KIT
SCHEMBL17208720 0.72 RAD52 (0.95) RAD52ATM

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-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 — — EP disclosed
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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