SCHEMBL18534622

SCHEMBL18534622

CNc1cc(Cl)ccc1C(=N)c1cnc2[nH]cc(C(=O)N[C@H](C)COC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.46
SYK P43405 5/20 0.45
JAK2 O60674 11/20 0.42
JAK1 P23458 11/20 0.42
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL18534795 1.00 JAK3 (0.46) JAK3SYKJAK2JAK1HPGD
SCHEMBL18534999 1.00 JAK3 (0.46) JAK3SYKJAK2JAK1HPGD
SCHEMBL18535074 0.93 SYK (0.45) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534498 0.92 SYK (0.42) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534487 0.91 JAK3 (0.51) JAK3SYKJAK2JAK1
SCHEMBL18534614 0.91 SYK (0.55) JAK3SYKJAK2JAK1
SCHEMBL18534634 0.91 SYK (0.55) JAK3SYKJAK2JAK1
SCHEMBL18534561 0.90 SYK (0.52) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534736 0.90 TAS1R3 (0.42) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534995 0.90 TAS1R3 (0.42) JAK3SYKJAK2JAK1CYP2C9

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed