SCHEMBL3845853

SCHEMBL3845853

CNC(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 2/20 0.35
TGFBR1 P36897 5/20 0.34
TGFBR2 P37173 1/20 0.33
CSNK1D P48730 2/20 0.32
CSNK1E P49674 2/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IKBKB O14920 1/20 0.30
CLK1 P49759 1/20 0.30

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
SCHEMBL3846605 0.91 TGFBR1 (0.37) FLT3TGFBR1TGFBR2
SCHEMBL5853410 0.91 FLT3 (0.36) FLT3RAB9AALDH1A1NPC1TGFBR1
SCHEMBL3848959 0.86 FLT3 (0.38) FLT3
SCHEMBL3848401 0.86 FLT3 (0.38) FLT3
SCHEMBL3845547 0.86 FLT3 (0.39) FLT3
SCHEMBL3845849 0.85 KDM4E (0.42) FLT3KDM4ERAB9AALDH1A1NPC1
SCHEMBL3848181 0.85 FLT3 (0.39) FLT3TGFBR1TGFBR2CSNK1DCSNK1E
SCHEMBL3846094 0.83 FLT3 (0.38) FLT3RAB9ANPC1MKNK1MKNK2
SCHEMBL3845555 0.83 TGFBR1 (0.33) FLT3KDM4ERAB9AALDH1A1TGFBR1
SCHEMBL3846737 0.83 MKNK1 (0.36) FLT3TGFBR1TGFBR2MKNK1MKNK2

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