SCHEMBL21537534

SCHEMBL21537534

Nc1cnc(-c2cccc(N)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.59
MEN1 O00255 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MAOA P21397 1/20 0.52
PSIP1 O75475 1/20 0.52
AXL P30530 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
METAP2 P50579 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ATAD2 Q6PL18 1/20 0.47
ENPP2 Q13822 1/20 0.47
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL24270332 0.89 MAP4K4 (0.74) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL29686802 0.86 MAP4K4 (0.54) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL3492071 0.86 MAP4K4 (0.53) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL15416241 0.86 MAP4K4 (0.53) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL2627252 0.84 MAP4K4 (0.60) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL27783053 0.84 MEN1 (0.68) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL2131570 0.82 DHFR (0.51) MAP4K4ALDH1A1
SCHEMBL31722154 0.82 TAAR1 (0.55) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL31158156 0.81 MAP4K4 (0.52) MAP4K4MEN1KDM4EALDH1A1MAPT
SCHEMBL27783151 0.80 MEN1 (0.68) MAP4K4MEN1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694490-B A kind of High-temperature polyimide proton exchange membrane and preparation method thereof 陕西煤业化工技术研究院有限责任公司 2016-06-15 CN claimed
CN-103694490-A High-temperature polyimide proton exchange membrane and preparation method thereof SHAANXI COAL & CHEM TECH INST 2014-04-02 CN claimed
CN-101735141-A Hexa-aromatic heterocyclic diamine and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2010-06-16 CN claimed
EP-3561892-A1 ORGANIC LIGHT-EMITTING DEVICE Heesung Material Ltd. (KR) 2019-10-30 EP disclosed
CN-103694490-B A kind of High-temperature polyimide proton exchange membrane and preparation method thereof 陕西煤业化工技术研究院有限责任公司 2016-06-15 CN disclosed
CN-103694490-A High-temperature polyimide proton exchange membrane and preparation method thereof SHAANXI COAL & CHEM TECH INST 2014-04-02 CN disclosed
CN-101735141-A Hexa-aromatic heterocyclic diamine and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2010-06-16 CN disclosed