SCHEMBL20779658

SCHEMBL20779658

CSc1ccc(NC2CCCCC2)c(-c2cnn(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.49
IRAK1 P51617 2/20 0.47
MERTK Q12866 4/20 0.46
TYRO3 Q06418 7/20 0.46
TTK P33981 2/20 0.46
MAPK8 P45983 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
JAK2 O60674 1/20 0.43
KCNH2 Q12809 1/20 0.43
LRRK2 Q5S007 1/20 0.42
CHEK1 O14757 1/20 0.42
CREBBP Q92793 1/20 0.41

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
SCHEMBL20779812 0.80 OPRK1 (0.38) AXLMERTKJAK2KCNH2
SCHEMBL20779645 0.80 IRAK1 (0.41) IRAK1IRAK4
SCHEMBL20766946 0.79 BRD4 (0.55) AXLIRAK1MERTKTYRO3TTK
SCHEMBL29901795 0.79 BRD4 (0.55) AXLIRAK1MERTKTYRO3TTK
SCHEMBL20779484 0.77 TTK (0.51) AXLIRAK1MERTKTYRO3TTK
SCHEMBL25043144 0.76 BRD4 (0.49)
SCHEMBL28419033 0.71 CHEK1 (0.48) AXLIRAK4CHEK1
SCHEMBL20384219 0.71 ALDH1A1 (0.43)
SCHEMBL20779774 0.71 ROCK2 (0.39) LRRK2
SCHEMBL20779646 0.71 OPRK1 (0.44)

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-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed