SCHEMBL3846835

SCHEMBL3846835

O=C(Nc1nccs1)c1cc(-c2ncnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc23)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
LMNA P02545 8/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.37
NR3C1 P04150 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3845338 0.94 LMNA (0.40) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3847597 0.85 MAPT (0.40) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3848535 0.85 CAMKK1 (0.45) KCNH2
SCHEMBL3854353 0.84 KMT2A (0.38) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3847931 0.80 AURKB (0.43) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3847105 0.80 CAMKK2 (0.47) KCNH2
SCHEMBL3848964 0.79 CAMKK1 (0.39) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3852852 0.78 PDPK1 (0.40) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4761308 0.77 SIRT2 (0.42) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3845224 0.75 PIK3CD (0.39) LMNAMEN1KMT2AALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed