SCHEMBL3845544

SCHEMBL3845544

CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.44
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
TGFBR1 P36897 4/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL3848109 0.92 FLT3 (0.40) FLT3TGFBR1DYRK3CCNT1CCNA2
SCHEMBL3850681 0.92 FLT3 (0.37) FLT3TGFBR1MKNK1MKNK2
SCHEMBL3849419 0.90 FLT3 (0.36) FLT3MKNK1MKNK2
SCHEMBL3848455 0.89 MKNK1 (0.38) FLT3TGFBR1MKNK1MKNK2
SCHEMBL3846331 0.89 FYN (0.38) FLT3AKT1AKT2
SCHEMBL3853072 0.89 FLT3 (0.49) FLT3AKT1AKT2TGFBR1
SCHEMBL3847065 0.88 FLT3 (0.34) FLT3
SCHEMBL3846538 0.88 FLT3 (0.36) FLT3MKNK1MKNK2
SCHEMBL3851974 0.87 TGFBR1 (0.38) FLT3TGFBR1MKNK1MKNK2
SCHEMBL3847207 0.87 MKNK1 (0.35) FLT3TGFBR1MKNK1MKNK2

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