SCHEMBL9853704

SCHEMBL9853704

Nc1cc2cnncc2c2[nH]nnc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CHEK1 O14757 1/20 0.32

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
SCHEMBL10725453 0.76 KDM4E (0.38) PIM1PIM3
SCHEMBL10677636 0.76 DYRK1A (0.32)
SCHEMBL9533974 0.68
SCHEMBL31749048 0.66
SCHEMBL11204869 0.65
SCHEMBL18879037 0.61
SCHEMBL6818009 0.59 MEN1 (0.38)
SCHEMBL4238291 0.59 CCNT1 (0.38) PIM1
SCHEMBL31017312 0.57 MAP4K4 (0.41)
SCHEMBL6729678 0.56 IDO1 (0.39)

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-0441339-A1 Substituted triazolopyridazines MERRELL PHARMACEUTICALS INC. (US) 1991-08-14 EP disclosed
US-5011835-A Substituted triazolopyridazines, pharmaceutical compositions and use MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US disclosed