SCHEMBL11515735

SCHEMBL11515735

N#CC(=CNc1ccnc(-c2ccncc2)n1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.51
PLK1 P53350 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IDE P14735 1/20 0.44
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLCG1 P19174 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP1A2 P05177 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MCL1 Q07820 1/20 0.35

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
SCHEMBL11515975 0.90 L3MBTL1 (0.49) NEK2PLK1L3MBTL1RXFP1KDM4E
SCHEMBL11514696 0.86 POLB (0.47) NEK2PLK1L3MBTL1RXFP1KDM4E
SCHEMBL11514692 0.86 POLB (0.47) NEK2PLK1L3MBTL1RXFP1KDM4E
SCHEMBL11517427 0.85 L3MBTL1 (0.52) NEK2PLK1L3MBTL1RXFP1KDM4E
SCHEMBL11514763 0.83 DHODH (0.47) L3MBTL1RXFP1KDM4EATMPOLB
SCHEMBL11514757 0.83 DHODH (0.47) L3MBTL1RXFP1KDM4EATMPOLB
SCHEMBL11516615 0.82 L3MBTL1 (0.48) L3MBTL1RXFP1KDM4EATMPOLB
SCHEMBL11515588 0.81 POLB (0.49) L3MBTL1RXFP1KDM4EATMPOLB
SCHEMBL11517592 0.79 L3MBTL1 (0.53) L3MBTL1RXFP1KDM4EATMPOLB
Hydrochloric Acid SCHEMBL11516685 0.77 L3MBTL1 (0.52) L3MBTL1RXFP1KDM4EATMPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed
US-4118571-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed