SCHEMBL4970217

SCHEMBL4970217

O=C(O)Oc1cc2cc(C(F)(F)F)ccn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 4/20 0.36
CES2 O00748 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
BRAF P15056 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4968697 0.78 MAPT (0.33) ATMKMT2AHSD17B10MEN1LMNA
SCHEMBL4910976 0.78 HSD17B10 (0.46) KMT2AHSD17B10MEN1LMNATSHR
SCHEMBL4967566 0.75 MAPT (0.37) KMT2AHSD17B10MEN1LMNAMAPK1
SCHEMBL4968672 0.74 MAP4K4 (0.49) HSD17B10TSHRKDM4EALDH1A1NPC1
SCHEMBL27471443 0.71 NOTUM (0.48) KMT2AHSD17B10MEN1LMNATSHR
SCHEMBL20636709 0.70 KDM4E (0.50) ATMKMT2AHSD17B10MEN1LMNA
SCHEMBL25332513 0.70 NOS3 (0.43) KMT2AHSD17B10MEN1LMNATSHR
SCHEMBL25373314 0.70 DRD2 (0.36) KMT2AHSD17B10MEN1LMNATSHR
SCHEMBL16458320 0.69 NOS3 (0.46) KMT2AHSD17B10MEN1LMNACES2
SCHEMBL4970795 0.69 KMT2A (0.34) KMT2AHSD17B10LMNAMAPK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO disclosed