SCHEMBL17208640

SCHEMBL17208640

COc1cc(NCc2cnc(NC(C)=O)cn2)cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.56
▸ RAD52 P43351 2/20 0.55
▸ MAPT P10636 7/20 0.55
▸ ATM Q13315 1/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ UBE2N P61088 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ EGFR P00533 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PAX8 Q06710 1/20 0.51
▸ KIT P10721 1/20 0.50

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 0.94 RAD52 (0.62) ABL1RAD52MAPTATMKMT2A
SCHEMBL17208641 0.93 RAD52 (0.54) RAD52MAPTATMKMT2AKDM4E
SCHEMBL17208621 0.81 DDR1 (0.68) ABL1MAPTATMKMT2ANPSR1
SCHEMBL17208648 0.80 EGFR (0.59) ABL1MAPTATMKMT2AKDM4E
SCHEMBL30466487 0.77 KIT (0.70) ABL1MAPTKMT2ANPSR1EGFR
SCHEMBL2226738 0.77 RAD52 (0.82) RAD52ATMEGFRBRAF
SCHEMBL17208643 0.77 RAD52 (0.67) ABL1RAD52EGFRBRAF
SCHEMBL16588513 0.77 RAD52 (0.71) ABL1RAD52EGFRBRAFKIT
SCHEMBL17208617 0.76 EGFR (0.60) ABL1RAD52MAPTATMKMT2A
SCHEMBL22548956 0.74 ABL1 (0.82) ABL1KIT

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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