SCHEMBL29947388

SCHEMBL29947388

C=C(OCC)c1cncc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
LMNA P02545 3/20 0.34
MAPK1 P28482 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TLR9 Q9NR96 3/20 0.33
BCL2A1 Q16548 2/20 0.33
CBLB Q13191 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 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
SCHEMBL26981246 1.00 KDM4E (0.37) KDM4ELMNAMAPK1KMT2AALDH1A1
SCHEMBL25272192 0.81 CYP1A2 (0.47) KDM4EMAPK1KMT2AALDH1A1HPGD
SCHEMBL30595867 0.81 CYP1A2 (0.47) KDM4EMAPK1KMT2AALDH1A1HPGD
SCHEMBL22481338 0.78 P2RX7 (0.49) LMNAMAPK1KMT2AALDH1A1HPGD
SCHEMBL172147 0.76 CBLB (0.32) CBLB
SCHEMBL24724317 0.76 KDM4E (0.35) KDM4EMAPK1KMT2AALDH1A1HPGD
SCHEMBL30003361 0.76 KDM4E (0.35) KDM4EMAPK1KMT2AALDH1A1HPGD
SCHEMBL29882431 0.76 HSP90AA1 (0.39) KDM4ELMNAMAPK1KMT2AALDH1A1
SCHEMBL23580481 0.76 HSP90AA1 (0.39) KDM4ELMNAMAPK1KMT2AALDH1A1
SCHEMBL17819677 0.74 KDM4E (0.32) KDM4EALDH1A1HPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301468-A1 FGFR3 INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2024-01-10 EP disclosed
WO-2022187443-A1 FGFR3 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2022-09-09 WO disclosed