SCHEMBL17208707

SCHEMBL17208707

CC(C)Sc1c(CNc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LCK P06239 3/20 0.43
▸ DDR1 Q08345 2/20 0.43
▸ DDR2 Q16832 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ PIKFYVE Q9Y2I7 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ RET P07949 1/20 0.42
▸ BTK Q06187 2/20 0.42

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
SCHEMBL17208711 0.86 MAPK14 (0.60) MEN1KMT2ADDR1DDR2BRAF
SCHEMBL17208706 0.84 DDR1 (0.55) MAPTMEN1KMT2APOLBTSHR
SCHEMBL17208710 0.83 MAP3K20 (0.64) KMT2ADDR1EGFRBRAFRET
SCHEMBL17208620 0.81 DDR1 (0.55) MAPTMEN1KMT2AESR1HTT
SCHEMBL17208708 0.80 MAPK14 (0.65) KMT2ADDR1EGFRBRAFRET
SCHEMBL26882896 0.77 DDR1 (0.59) DDR1DDR2EGFRBRAF
SCHEMBL14689713 0.76 DDR2 (0.60) MAPTPOLBHTTLCKDDR1
SCHEMBL17208650 0.76 MAPT (0.56) MAPTPOLBHTTRXFP1
SCHEMBL14704746 0.75 DDR2 (0.58) MAPTPOLBHTTLCKDDR1
SCHEMBL17208652 0.75 PIKFYVE (0.56) LCKDDR1DDR2PIKFYVEBRAF

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
US-9180127-B2 Type II Raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-11-10 — — US disclosed
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
Send feedback