SCHEMBL21781668

SCHEMBL21781668

O=C(Nc1cnc2c(c1C1CCCCCC1)CCC2)C1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CETP P11597 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 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
SCHEMBL18399550 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL22138739 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL19059972 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL20368679 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL19059992 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL24832244 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL22853568 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL21158392 1.00 ABL1 (0.41) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL18399549 0.93 LMNA (0.39) ABL1SMN1; SMN2HTTALOX15HDAC3
SCHEMBL22138631 0.86 ADRA2A (0.37) ABL1SMN1; SMN2HTTLMNAPKM

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-2945939-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2020-03-04 EP disclosed