SCHEMBL3844882

SCHEMBL3844882

N#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.46
MKNK2 Q9HBH9 9/20 0.46
CYP3A4 P08684 2/20 0.46
EIF4E P06730 1/20 0.46
FYN P06241 2/20 0.43
GRK5 P34947 1/20 0.40
TGFBR1 P36897 3/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
NTRK1 P04629 2/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL3848374 0.89 FYN (0.45) MKNK1MKNK2FYNGRK5TGFBR1
SCHEMBL3845957 0.87 FLT3 (0.41) MKNK1MKNK2CYP3A4EIF4ETGFBR1
SCHEMBL3846841 0.86 TGFBR1 (0.48) MKNK1MKNK2FYNGRK5TGFBR1
SCHEMBL3848269 0.85 KCNH2 (0.48) MKNK1MKNK2CYP3A4EIF4ETGFBR1
SCHEMBL3844884 0.84 MKNK1 (0.41) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL3845550 0.81 FLT3 (0.41) MKNK1MKNK2FYNGRK5TGFBR1
SCHEMBL13874519 0.79 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL3847225 0.79 TGFBR1 (0.43) MKNK1MKNK2FYNTGFBR1
Hydrochloric Acid SCHEMBL3850553 0.79 MKNK1 (0.50) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL3847151 0.78 FLT3 (0.41) MKNK1MKNK2CYP3A4EIF4ETGFBR1

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