SCHEMBL31312141

SCHEMBL31312141

COC(=N)c1cc(C(F)(F)F)cnn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NOTUM Q6P988 2/20 0.31
▸ RAF1 P04049 2/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CFTR P13569 1/20 0.30
▸ AGBL2 Q5U5Z8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25226760 0.80 CFTR (0.46) MAPK1KMT2AMEN1NOTUMCFTR
SCHEMBL30595863 0.80 CFTR (0.46) MAPK1KMT2AMEN1NOTUMCFTR
SCHEMBL26742425 0.74 AGBL2 (0.39) MAPK1KMT2AMEN1L3MBTL1AGBL2
SCHEMBL29488332 0.73 ASPH (0.44) KMT2AMEN1L3MBTL1AGBL2ALDH1A1
SCHEMBL23012611 0.73 ASPH (0.44) KMT2AMEN1L3MBTL1AGBL2ALDH1A1
SCHEMBL29921698 0.70 KMT2A (0.51) KMT2AAGBL2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30661365 0.70 L3MBTL1 (0.38) KMT2AMEN1RAF1L3MBTL1AGBL2
SCHEMBL26621180 0.70 L3MBTL1 (0.38) KMT2AMEN1RAF1L3MBTL1AGBL2
SCHEMBL31312487 0.69 CFTR (0.39) MAPK1NOTUMCFTRALDH1A1MAPT
SCHEMBL30595875 0.68 ALDH1A1 (0.36) AGBL2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727921-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 — — EP disclosed
EP-4727922-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 — — EP disclosed
WO-2024263460-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-26 — — WO disclosed
WO-2024258917-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-19 — — WO disclosed
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