SCHEMBL13495835

SCHEMBL13495835

NNC(=O)c1ccc2[nH]nc(N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.68
JAK1 P23458 10/20 0.68
ULK1 O75385 2/20 0.56
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDPK1 O15530 1/20 0.49
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL12907129 0.84 ROCK2 (0.60) JAK2JAK1ULK1
SCHEMBL4780688 0.84 JAK2 (0.50) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL12907294 0.83 JAK2 (0.59) JAK2JAK1ULK1
SCHEMBL4781046 0.82 JAK2 (0.48) JAK2JAK1ULK1KDM4EALDH1A1
SCHEMBL117222 0.81 JAK2 (0.64) JAK2JAK1ULK1KDM4EALDH1A1
SCHEMBL4783157 0.81 JAK2 (0.47) JAK2JAK1KDM4EALDH1A1LMNA
SCHEMBL12907509 0.81 MAPK1 (0.71) JAK2JAK1
SCHEMBL12907343 0.81 MAPK1 (0.58) JAK2JAK1ULK1
SCHEMBL4404641 0.80 JAK2 (0.58) JAK2JAK1ULK1PDPK1CCNC
Hydrochloric Acid SCHEMBL17206177 0.80 JAK2 (0.62) JAK2JAK1ULK1KDM4EALDH1A1

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
WO-2010020307-A2 INDAZOLE-5-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed