SCHEMBL20817876

SCHEMBL20817876

CC1CNCc2nnc(Nc3ccccc3C(F)(F)F)n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
NTSR1 P30989 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.34
EPHX2 P34913 1/20 0.33
SCD O00767 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
SCHEMBL5935841 0.70 HTR2A (0.31) HTR2CHTR2AHTR2B
SCHEMBL4241192 0.66 KMT2A (0.43) KMT2ANPSR1MEN1GAAMAPT
SCHEMBL395435 0.63 ALDH1A1 (0.64) KMT2ANPSR1MEN1GAAMAPT
SCHEMBL21914208 0.63 TSHR (0.43) ALDH1A1LMNAMAPK1TP53SMN1; SMN2
SCHEMBL22536515 0.62 PDK1 (0.41)
SCHEMBL22536517 0.62 PDK1 (0.41)
SCHEMBL905860 0.62 HTR2C (0.40) HTR2CHTR2AHTR2BP2RX7
SCHEMBL905859 0.62 HTR2C (0.40) HTR2CHTR2AHTR2BP2RX7
SCHEMBL21914658 0.62
SCHEMBL1921414 0.61 ALDH1A1 (0.61) KMT2ANPSR1MEN1GAAMAPT

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-3684364-A2 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2020-07-29 EP disclosed
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 WO disclosed