SCHEMBL19208893

SCHEMBL19208893

[CH2]CN(Cc1cccc(Cl)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
RIPK1 Q13546 1/20 0.37
REN P00797 1/20 0.34
P2RX7 Q99572 4/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CFD P00746 1/20 0.33
DRD2 P14416 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19208208 0.86 SSTR4 (0.54) SSTR4RIPK1RENP2RX7EGFR
SCHEMBL16701484 0.81 RIPK1 (0.48) SSTR4RIPK1HDAC3HDAC1HDAC2
SCHEMBL19208297 0.80 SSTR4 (0.39) SSTR4RIPK1RENEGFRERBB2
SCHEMBL19208044 0.79 REN (0.39) SSTR4RENP2RX7HDAC3HDAC1
SCHEMBL16397127 0.72 RPS6KA1 (0.48) P2RX7CFDDRD2
SCHEMBL21257736 0.71 HDAC3 (0.35) RENEGFRERBB2HDAC3HDAC1
SCHEMBL14804194 0.70 KMT2A (0.48) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL19208107 0.70 P2RX7 (0.41) P2RX7CFDSMN1; SMN2
SCHEMBL14157466 0.70 CA14 (0.42) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL19208272 0.69 SSTR4 (0.41) SSTR4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411411-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF Biocryst Pharmaceuticals, Inc. (US) 2018-12-12 EP disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed