SCHEMBL10631471

SCHEMBL10631471

CC1=C(c2ccc(-n3ccnc3)nc2)NNC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2D6 P10635 5/20 0.37
▸ CYP2C19 P33261 5/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ PDE3B Q13370 7/20 0.37
▸ PDE3A Q14432 7/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ PIM1 P11309 1/20 0.36

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
SCHEMBL11032841 0.83 PDE3B (0.51) KMT2AMEN1HTTCYP1A2CYP3A4
SCHEMBL7436364 0.75 EGLN2 (0.35) KMT2AMEN1HTTCYP1A2CYP3A4
SCHEMBL10468427 0.71 PDE3B (0.69) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL10551860 0.71 PDE3B (0.46) KMT2AGAACYP1A2CYP3A4CYP2D6
SCHEMBL10469492 0.70 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10551346 0.69 PDE3B (0.70) GAACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10684945 0.69 PDE3B (0.44) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL10553489 0.69 PDE3B (0.69) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10554320 0.68 PDE3B (0.46) KMT2AGAACYP1A2CYP3A4CYP2D6
SCHEMBL8815628 0.68 GAA (0.50) KMT2AGAACYP1A2CYP3A4CYP2D6

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
US-4783463-A Pyridyl-pyridazinone and pyridyl-pyrazolinone compounds and their use in the treatment of congestive heart failure RORER PHARMACEUTICAL CORPORATION (US) 1988-11-08 — — US claimed
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