SCHEMBL19981554

SCHEMBL19981554

Cc1c(NC(=O)N2Cc3ccccc3C2)cccc1-c1cc(Nc2ccc(C(=O)NCCO)cn2)c(=O)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.49
BTK Q06187 9/20 0.46
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2492566 0.84 BTK (0.60) NAMPTBTKKDM4E
SCHEMBL13894014 0.80 BTK (0.46) NAMPTBTKKDM4ELMNAPOLB
SCHEMBL13894021 0.75 BTK (0.39) NAMPTBTKKDM4ELMNAPOLB
SCHEMBL105574 0.73 BTK (0.66) BTK
SCHEMBL105793 0.73 BTK (0.59) BTK
SCHEMBL107601 0.73 BTK (0.60) BTKKDM4E
SCHEMBL104664 0.72 BTK (0.56) BTK
SCHEMBL3659635 0.71 BTK (0.61) BTK
SCHEMBL104439 0.71 BTK (0.77) BTK
SCHEMBL108055 0.71 BTK (0.58) BTKKDM4E

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
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed