SCHEMBL21170475

SCHEMBL21170475

C#Cc1cncc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TNF P01375 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
GPR55 Q9Y2T6 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CYP3A4 P08684 1/20 0.31
PORCN Q9H237 1/20 0.31
PTGES O14684 2/20 0.31

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
SCHEMBL2563223 0.90 NPY5R (0.38) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170103 0.86 NPC1 (0.38) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170232 0.81 IL1B (0.37) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170491 0.81 IL1B (0.35) IL1BNPC1RAB9ACYP2A6PTGES
SCHEMBL12288231 0.81 NPC1 (0.51) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL12287727 0.80 FPR2 (0.39) IL1BCYP3A4PORCN
SCHEMBL12287126 0.79 GPR55 (0.50) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL12287310 0.79 CYP11B1 (0.39) IL1BALDH1A1CYP2A6PSEN1PSEN2
SCHEMBL12287811 0.78 GABRG2 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12287901 0.77 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed