SCHEMBL17208650

SCHEMBL17208650

COc1cc(NCc2cnc3[nH]ccc3c2Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.56
▸ KDM4E B2RXH2 11/20 0.56
▸ MITF O75030 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SAE1 Q9UBE0 2/20 0.54
▸ UBA2 Q9UBT2 2/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ HKDC1 Q2TB90 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ HTT P42858 1/20 0.52
▸ THRB P10828 1/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.47

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
SCHEMBL14689713 0.83 DDR2 (0.60) MAPTKDM4EPOLBHTT
SCHEMBL17208706 0.83 DDR1 (0.55) MAPTKDM4EMITFPOLBRXFP1
SCHEMBL17208648 0.81 EGFR (0.59) MAPTKDM4E
SCHEMBL17208652 0.80 PIKFYVE (0.56) —
SCHEMBL17208620 0.79 DDR1 (0.55) MAPTHTTRXFP1
SCHEMBL13708193 0.79 MAPT (0.64) MAPTKDM4EMITFNPC1MAPK1
SCHEMBL17208707 0.76 MAPT (0.47) MAPTPOLBHTTRXFP1
SCHEMBL17208612 0.75 MAPK14 (0.53) —
SCHEMBL1134930 0.74 MAPT (0.48) MAPTKDM4EMITFNPC1MAPK1
SCHEMBL12517070 0.74 RET (0.42) MAPTKDM4EHTTRXFP1

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
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