SCHEMBL21154463

SCHEMBL21154463

OCCNc1nc2ccccn2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
RAD52 P43351 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH3 Q9ULD8 2/20 0.38
GBA1 P04062 2/20 0.38
MEN1 O00255 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
SCHEMBL16840853 0.80 JAK2 (0.58) JAK2JAK3KDM4EGAAALDH1A1
SCHEMBL16840469 0.74 JAK2 (0.64) JAK2JAK3KDM4EGAAALDH1A1
SCHEMBL29974262 0.73 ALDH1A1 (0.42) JAK2RECQLMCL1KDM4EMAPK1
SCHEMBL2640343 0.71 JAK2 (1.00) JAK2JAK3KDM4EMAPK1GAA
SCHEMBL30496382 0.71 JAK2 (0.55) JAK2JAK3LMNA
SCHEMBL2717765 0.70 JAK2 (0.46) JAK2JAK3KDM4EGAAALDH1A1
SCHEMBL17131652 0.70 JAK2 (0.58) JAK2JAK3KDM4EGAAALDH1A1
SCHEMBL11413826 0.69 PDE10A (0.44) JAK2JAK3KDM4EGAAALDH1A1
SCHEMBL4061727 0.69 JAK2 (0.56) JAK2JAK3KDM4EMAPK1GAA
SCHEMBL5300653 0.67 JAK2 (0.50) JAK2JAK3KDM4EGAAALDH1A1

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-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed