SCHEMBL3849253

SCHEMBL3849253

COc1nnc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.38
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPK14 Q16539 3/20 0.35
FYN P06241 2/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
TGFBR1 P36897 6/20 0.32
DYRK3 O43781 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
DYRK1A Q13627 2/20 0.32
DYRK2 Q92630 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MKNK1 Q9BUB5 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
SCHEMBL3849706 0.85 FLT3 (0.46) FLT3ALDH1A1MAPK14FYNAKT1
SCHEMBL6644463 0.83 MAPK14 (0.41) FLT3MAPK14FYNTGFBR1
SCHEMBL3852056 0.82 KDR (0.41) FLT3FYNAKT1AKT2TGFBR1
SCHEMBL3846719 0.82 KDR (0.46) FLT3TGFBR1DYRK3CCNA2CDK2
SCHEMBL3846497 0.82 FYN (0.41) FLT3MAPK14FYN
SCHEMBL3848398 0.82 FLT3 (0.44) FLT3AKT1AKT2TGFBR1
SCHEMBL3848105 0.82 FLT3 (0.44) FLT3MAPK14AKT1AKT2TGFBR1
SCHEMBL3846088 0.81 FLT3 (0.45) FLT3FYNMKNK1
SCHEMBL3845544 0.81 FLT3 (0.44) FLT3AKT1AKT2TGFBR1DYRK3
SCHEMBL3845245 0.81 FLT3 (0.39) FLT3MAPK14AKT1AKT2TGFBR1

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