SCHEMBL17208642

SCHEMBL17208642

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc(NC(=O)C5CC5)cn4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.79
▸ NR2C2 P49116 2/20 0.62
▸ HCK P08631 1/20 0.62
▸ DDR1 Q08345 1/20 0.61
▸ BTK Q06187 1/20 0.57
▸ ABL1 P00519 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ RET P07949 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ KIT P10721 1/20 0.56
▸ BCR P11274 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ FGFR2 P21802 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ MKNK1 Q9BUB5 1/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56

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
SCHEMBL19986863 0.94 RAD52 (0.71) RAD52NR2C2HCKDDR1ABL1
SCHEMBL2226738 0.92 RAD52 (0.82) RAD52NR2C2DDR1BTKMAPK1
SCHEMBL17208643 0.92 RAD52 (0.67) RAD52ABL1
SCHEMBL19986849 0.92 RAD52 (0.81) RAD52NR2C2HCKDDR1BTK
SCHEMBL17208696 0.91 RAD52 (0.80) RAD52NR2C2DDR1BTKMAPK1
SCHEMBL17208720 0.91 RAD52 (0.95) RAD52NR2C2DDR1BTKMAPK1
SCHEMBL22457642 0.90 RAD52 (0.78) RAD52NR2C2DDR1BTKMAPK1
SCHEMBL2228555 0.89 RAD52 (0.84) RAD52NR2C2DDR1BTKMAPK1
SCHEMBL2280193 0.88 RAD52 (0.75) RAD52NR2C2HCKDDR1BTK
SCHEMBL17208738 0.85 RAD52 (0.71) RAD52NR2C2HCKDDR1BTK

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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