SCHEMBL19987117

SCHEMBL19987117

Cc1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.58
PIM2 Q9P1W9 8/20 0.58
FLT3 P36888 2/20 0.58
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NTRK1 P04629 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TGFBR2 P37173 1/20 0.46
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL103371 0.85 PIM1 (0.58) PIM1PIM2FLT3MEN1KMT2A
SCHEMBL19986933 0.85 PIM1 (0.61) PIM1PIM2FLT3MEN1KMT2A
SCHEMBL8207947 0.85 PIM1 (0.61) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL4594847 0.80 PIM1 (0.51) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL4595601 0.79 PIM1 (0.49) PIM1PIM2FLT3NTRK1
SCHEMBL19987090 0.78 PIM1 (0.66) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL102493 0.76 PIM1 (0.62) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL103291 0.76 PIM1 (0.63) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL4336441 0.76 PIM1 (0.78) PIM1PIM2FLT3
SCHEMBL19987094 0.76 PIM1 (0.52) PIM1PIM2FLT3NTRK1KDM4E

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