SCHEMBL24612252

SCHEMBL24612252

CN(Cc1ccc2c(C#N)c[nH]c2c1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 12/20 0.45
▸ CCKAR P32238 8/20 0.45
▸ IMPDH2 P12268 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GABRA1 P14867 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35

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
SCHEMBL24612375 0.75 CCKBR (0.51) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL20098189 0.72 CCKBR (0.46) CCKBRCCKAR
SCHEMBL24611851 0.71 CCKBR (0.53) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611848 0.71 CCKBR (0.48) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL14425343 0.71 MEN1 (0.60) CCKBRMEN1KMT2A
SCHEMBL20867159 0.71 CCKBR (0.53) CCKBRCCKAR
SCHEMBL24612099 0.68 CBLB (0.41) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612132 0.67 CCKBR (0.51) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612125 0.67 CCKBR (0.52) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL9526481 0.66 CCKBR (0.59) CCKBRCCKARMEN1ALDH1A1KMT2A

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-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
Send feedback