SCHEMBL20073388

SCHEMBL20073388

O=C(Nc1cc(Cl)c(Br)cn1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ABL1 P00519 12/20 0.56
MAP4K1 Q92918 1/20 0.54
GSK3B P49841 1/20 0.53
JAK2 O60674 3/20 0.52
TYK2 P29597 3/20 0.52
ACVRL1 P37023 1/20 0.49
JAK1 P23458 1/20 0.48
CDK9 P50750 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL25758601 0.85 MAP4K1 (0.58) ABL1MAP4K1JAK2TYK2ACVRL1
SCHEMBL24394271 0.84 ABL1 (0.64) ABL1MAP4K1JAK2TYK2
SCHEMBL31264647 0.84 MEN1 (0.42) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL30424808 0.84 ABL1 (0.64) ABL1MAP4K1JAK2TYK2
SCHEMBL22647518 0.83 MAP4K1 (0.53) LMNASMN1; SMN2ABL1MAP4K1JAK2
SCHEMBL20861414 0.81 ABL1 (0.54) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL31250315 0.79 ABL1 (0.57) ABL1MAP4K1GSK3BJAK2TYK2
SCHEMBL31250286 0.79 ABL1 (0.57) ABL1MAP4K1GSK3BJAK2TYK2
SCHEMBL20073384 0.79 MAP4K1 (0.52) ABL1MAP4K1GSK3BJAK2TYK2
SCHEMBL26677550 0.79 TYK2 (0.53) ABL1MAP4K1GSK3BJAK2TYK2

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-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 WO disclosed