SCHEMBL20098624

SCHEMBL20098624

C[C@@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@@H]3CC(=O)Nc4ccccc4/C(c4ccccc4)=N\3)o2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.40
▸ STK3 Q13188 2/20 0.40
▸ STK26 Q9P289 1/20 0.40
▸ CBLB Q13191 6/20 0.38
▸ CCKAR P32238 2/20 0.38
▸ CCKBR P32239 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL20098616 1.00 LRRK2 (0.40) LRRK2STK3STK26CBLBCCKAR
SCHEMBL20098482 0.90 CBLB (0.46) LRRK2STK3STK26CBLBCCKAR
SCHEMBL20098618 0.90 CBLB (0.46) LRRK2STK3STK26CBLBCCKAR
SCHEMBL21117375 0.82 LRRK2 (0.43) LRRK2STK3CBLBCCKARCCKBR
SCHEMBL20098124 0.81 CCKBR (0.44) LRRK2CBLBCCKARCCKBR
SCHEMBL20098252 0.81 CCKBR (0.44) LRRK2CBLBCCKARCCKBR
SCHEMBL20098695 0.81 BRD4 (0.35) CBLBCREBBP
SCHEMBL20098430 0.78 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL20098442 0.78 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL20098735 0.78 CCKAR (0.35) CCKARCCKBRCREBBP

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
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
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