SCHEMBL19783931

SCHEMBL19783931

O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(N3CC[C@@H](O)C3)ccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ABL1 P00519 19/20 0.37

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
SCHEMBL22590999 1.00 KMT2A (0.38) KMT2AABL1
SCHEMBL19783550 0.92 KMT2A (0.39) KMT2AABL1
SCHEMBL19784075 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19784194 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19783928 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19783535 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19784074 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL21220061 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19784076 0.92 KMT2A (0.36) KMT2AABL1
SCHEMBL19783539 0.92 KMT2A (0.36) KMT2AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed