SCHEMBL3847797

SCHEMBL3847797

OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.34
METAP1 P53582 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
ACACA Q13085 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33

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
SCHEMBL519708 0.81 KDM4E (0.33) KDM4ELMNAAURKAL3MBTL1MAPT
SCHEMBL3844424 0.79 KDM4E (0.37) KDM4ENPC1LMNAMETAP1CYP1A2
SCHEMBL31469325 0.77 KDM4E (0.41) KDM4ENPC1LMNAMETAP1CYP1A2
SCHEMBL3846801 0.77 KMT2A (0.40) KDM4ENPC1LMNACYP1A2AURKA
SCHEMBL3847608 0.76 GAA (0.41) NPC1L3MBTL1RAB9A
SCHEMBL3847314 0.76 F2RL3 (0.30)
SCHEMBL3846491 0.76 KMT2A (0.32) NPC1LMNAPOLBMAPT
SCHEMBL3846711 0.76 KDM4E (0.37) KDM4ENPC1LMNAAURKAL3MBTL1
SCHEMBL3847281 0.76 POLB (0.39) KDM4ELMNAPOLBL3MBTL1MAPT
SCHEMBL1978146 0.75 AURKA (0.32) KDM4EHIF1AAURKA

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