SCHEMBL3844516

SCHEMBL3844516

CSc1cnc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4c(F)cccc4F)cn23)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.34
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
FLT3 P36888 2/20 0.32

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
SCHEMBL3846358 0.85 FLT3 (0.39) TGFBR1FLT3
SCHEMBL3846927 0.82 FLT3 (0.43) TGFBR1FLT3
SCHEMBL3850099 0.80 TGFBR1 (0.39) TGFBR1
SCHEMBL3846029 0.79 MAP4K4 (0.33)
SCHEMBL3848408 0.79 TGFBR1 (0.36) TGFBR1
SCHEMBL3845544 0.78 FLT3 (0.44) TGFBR1DYRK3CCNT1CCNA2CDK2
SCHEMBL3848109 0.77 FLT3 (0.40) TGFBR1DYRK3CCNT1CCNA2CDK2
SCHEMBL3847453 0.76 TGFBR1 (0.35) TGFBR1DYRK3CCNT1CCNA2CDK2
SCHEMBL3850681 0.75 FLT3 (0.37) TGFBR1FLT3
SCHEMBL3846448 0.75 FLT3 (0.44) TGFBR1FLT3

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