SCHEMBL21170248

SCHEMBL21170248

C=C(NCCNC(=O)CC(C)(C)C)c1cc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
IL1B P01584 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CFTR P13569 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL21170495 0.85 IL1B (0.35) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170253 0.84 IL1B (0.36) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170213 0.84 IL1B (0.37) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170493 0.83 IL1B (0.37) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170265 0.82 IL1B (0.36) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170119 0.81 IL1B (0.35) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170489 0.81 IL1B (0.36) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170503 0.80 IL1B (0.36) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL18470528 0.80 IL1B (0.34) FPR2SCN9AIL1BNPC1RAB9A
SCHEMBL21170344 0.76 IL1B (0.37) IL1BNPC1RAB9A

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