SCHEMBL19986933

SCHEMBL19986933

Nc1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.61
PIM2 Q9P1W9 9/20 0.58
FLT3 P36888 2/20 0.58
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TGFBR2 P37173 1/20 0.43
FYN P06241 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19987117 0.85 PIM1 (0.58) PIM1PIM2FLT3ADORA2AADORA1
SCHEMBL8207947 0.85 PIM1 (0.61) PIM1PIM2FLT3ADORA2AADORA1
SCHEMBL103371 0.85 PIM1 (0.58) PIM1PIM2FLT3ADORA2AADORA1
SCHEMBL14653595 0.81 PIM1 (0.63) PIM1PIM2FLT3ADORA2AADORA1
SCHEMBL23299247 0.80 PIM1 (0.65) PIM1PIM2ADORA1HPGDNPC1
SCHEMBL13501066 0.80 PIM1 (0.65) PIM1PIM2FLT3NPC1RAB9A
SCHEMBL102493 0.76 PIM1 (0.62) PIM1PIM2FLT3HPGDKDM4E
SCHEMBL19987090 0.76 PIM1 (0.66) PIM1PIM2FLT3TGFBR2
SCHEMBL19987012 0.76 PIM1 (0.82) PIM1PIM2FLT3
SCHEMBL19987094 0.76 PIM1 (0.52) PIM1PIM2FLT3HPGDKDM4E

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-3409278-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2020-09-16 EP disclosed
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed