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SCHEMBL1974440

SCHEMBL1974440

C[C@@H](NC(=O)c1c(O)c2cc(Cl)cn2n(Cc2ccc(-c3ccccc3)cc2)c1=O)C(=O)O.O=C(O)CNC(=O)c1c(O)c2cc(-c3ccccc3)cn2n(Cc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 16/20 0.49
▸ EGLN3 Q9H6Z9 6/20 0.49
▸ EGLN2 Q96KS0 5/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ PPARG P37231 1/20 0.38

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
SCHEMBL1974439 1.00 EGLN1 (0.49) EGLN1EGLN3EGLN2CYSLTR2PPARG
SCHEMBL1966396 0.89 EGLN1 (0.56) EGLN1EGLN3EGLN2CYSLTR2
SCHEMBL1968648 0.89 EGLN1 (0.47) EGLN1EGLN3EGLN2CYSLTR2PPARG
SCHEMBL1968650 0.89 EGLN1 (0.47) EGLN1EGLN3EGLN2CYSLTR2PPARG
SCHEMBL1968474 0.87 EGLN1 (0.42) EGLN1PPARG
SCHEMBL1971151 0.87 EGLN1 (0.42) EGLN1PPARG
SCHEMBL1968476 0.87 EGLN1 (0.42) EGLN1PPARG
SCHEMBL1968958 0.85 EGLN1 (0.65) EGLN1EGLN3EGLN2CYSLTR2
SCHEMBL1966123 0.83 EGLN1 (0.44) EGLN1EGLN3EGLN2
SCHEMBL1966122 0.83 EGLN1 (0.44) EGLN1EGLN3EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264740-A Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators — 2011-11-30 — — CN claimed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 — — EP claimed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 — — WO claimed
CN-102264740-A Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators — 2011-11-30 — — CN disclosed