SCHEMBL23060271

SCHEMBL23060271

C=CC(=O)Nc1cc(NCCNCC(F)(F)C(F)(F)F)ccc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ATM Q13315 1/20 0.38
BTK Q06187 1/20 0.38
TGM2 P21980 4/20 0.36
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
EGFR P00533 3/20 0.35
MAPK3 P27361 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28553497 0.84 KDM4E (0.42) KDM4EATMBTKTGM2FGFR1
SCHEMBL23060053 0.82 GSTO1 (0.41) KDM4ETGM2EGFRALDH1A1HPGD
SCHEMBL23060180 0.78 GSTO1 (0.41) KDM4ETGM2EGFRALDH1A1HPGD
SCHEMBL23060172 0.77 TGM2 (0.34) BTKTGM2FGFR4EGFRALDH1A1
SCHEMBL23060193 0.77 FGFR4 (0.49) FGFR1FGFR4EGFRMAPK3
SCHEMBL29214301 0.76 KDM4E (0.41) KDM4EATMBTKTGM2FGFR1
SCHEMBL28549394 0.74 CFTR (0.56) KDM4EATMBTKTGM2FGFR4
SCHEMBL21431003 0.73 GSTO1 (0.46) KDM4ETGM2EGFRALDH1A1HPGD
SCHEMBL23044925 0.73 ALDH1A1 (0.46) KDM4EATMBTKTGM2FGFR4
SCHEMBL21392831 0.70 KDM4E (0.70) KDM4EATMALDH1A1HPGDKMT2A

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-4023639-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR Etern Biopharma (Shanghai) Co., Ltd. (CN) 2022-07-06 EP disclosed
WO-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed