SCHEMBL19225923

SCHEMBL19225923

CC(C)(C)OC(=O)CNc1ccc(F)cc1C(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
AGTR1 P30556 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
PTPRC P08575 2/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
KMT2A Q03164 2/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
MAPK10 P53779 1/20 0.32
MRGPRX1 Q96LB2 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
SCHEMBL19159325 0.86 EGFR (0.39) CCNT1ALDH1A1MAPTPTPRCZAP70
SCHEMBL19159330 0.78 SIRT2 (0.44) MAPTKMT2AMEN1F10MRGPRX1
SCHEMBL19160071 0.77 KLK1 (0.35) CCNT1ALDH1A1MAPTZAP70SYK
SCHEMBL17057610 0.77 EGFR (0.37) CCNT1ALDH1A1MAPTPTPRCZAP70
SCHEMBL5778950 0.75 ADRA1A (0.38) ALDH1A1MAPTKMT2AKCNQ4KCNQ5
SCHEMBL19160149 0.75 KDM4C (0.42) ALDH1A1
SCHEMBL15589674 0.74 ADRA1A (0.40) AGTR1ALDH1A1PTPRCKMT2ATDP1
SCHEMBL17055700 0.74 KDM4E (0.38) ALDH1A1MAPTPTPRCKMT2AMEN1
SCHEMBL17057604 0.73 EGFR (0.39) CCNT1ALDH1A1MAPTPTPRCKMT2A
SCHEMBL8052745 0.73 AGTR1 (0.51) AGTR1ALDH1A1PTPRCKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP disclosed