SCHEMBL29936289

SCHEMBL29936289

COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NC[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.42
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MERTK Q12866 1/20 0.34
PIK3CD O00329 3/20 0.34
ACKR3 P25106 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
JAK2 O60674 1/20 0.34
PTK2 Q05397 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK1 P51617 1/20 0.34
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PRMT5 O14744 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
SCHEMBL18210330 1.00 JAK3 (0.42) JAK3IDO1TDO2CCNT1CDK9
SCHEMBL29936435 1.00 JAK3 (0.42) JAK3IDO1TDO2CCNT1CDK9
SCHEMBL18210055 1.00 JAK3 (0.42) JAK3IDO1TDO2CCNT1CDK9
SCHEMBL22191901 0.92 JAK3 (0.42) JAK3IDO1TDO2CCNT1CDK9
SCHEMBL20617457 0.92 JAK3 (0.42) JAK3IDO1TDO2CCNT1CDK9
SCHEMBL29936551 0.89 ALOX5AP (0.36) JAK3PIK3CDKDM4EMEN1ALDH1A1
SCHEMBL29936498 0.89 ALOX5AP (0.36) JAK3PIK3CDKDM4EMEN1ALDH1A1
SCHEMBL18210421 0.89 ALOX5AP (0.36) JAK3PIK3CDKDM4EMEN1ALDH1A1
SCHEMBL18210156 0.89 ALOX5AP (0.36) JAK3PIK3CDKDM4EMEN1ALDH1A1
SCHEMBL18210163 0.87 JAK3 (0.41) JAK3PIK3CDKDM4EMEN1ALDH1A1

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-3288943-B1 PYRROLO[2,3-B]PYRAZINYL ACRYLAMIDES AND EPOXIDES THEREOF AS INHIBITORS OF JANUS KINASE PFIZER (US) 2022-09-28 EP disclosed