SCHEMBL2481337

SCHEMBL2481337

CN1CCN(Cc2ccc(N)cc2)CC1.CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KCNJ1 P48048 2/20 0.57
MAPT P10636 1/20 0.57
NPC1 O15118 1/20 0.55
NR2F2 P24468 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTT P42858 1/20 0.53
CCR2 P41597 1/20 0.52
SIRT6 Q8N6T7 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL519334 0.93 KDM4E (0.67) LMNAKDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL55983 0.84 LMNA (1.00) LMNAKDM4EALDH1A1MAPTNPC1
SCHEMBL2482651 0.83 KDM4E (0.56) LMNAKDM4EALDH1A1SMN1; SMN2KCNJ1
Hydrochloric Acid SCHEMBL1675964 0.83 LMNA (0.96) LMNAKDM4EALDH1A1MAPTNPC1
SCHEMBL4792525 0.82 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL374154 0.80 KDM4E (0.67) LMNAKDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL17805273 0.80 KCNJ1 (0.68) LMNAKDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL4565734 0.80 ALDH1A1 (0.79) LMNAKDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL3526680 0.79 KCNJ1 (0.87) KCNJ1KCNH2
SCHEMBL4849323 0.79 SMN1; SMN2 (0.59) LMNAKDM4EALDH1A1SMN1; SMN2MAPT

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed