SCHEMBL30483166

SCHEMBL30483166

c1cc(CNc2ncnc(NCc3ccncc3)n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.56
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ ADRA2C P18825 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ EGFR P00533 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE5A O76074 1/20 0.42
▸ GPR39 O43194 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ GRK2 P25098 1/20 0.41

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
SCHEMBL27829679 0.74 ADRA2C (0.50) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL7132304 0.73 CXCR4 (0.50) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL1308942 0.73 CA12 (0.56) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL29167130 0.73 CA1 (0.57) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL22191474 0.73 HDAC1 (0.58) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL19242049 0.73 KDM4E (0.61) KCNH3ADRA2C
SCHEMBL19241691 0.73 F2 (0.56) KCNH3HDAC1ADRA2C
SCHEMBL3549143 0.72 KCNH3 (0.53) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL18249767 0.72 HDAC1 (0.57) KCNH3HDAC1HDAC6HDAC3HDAC2
SCHEMBL1924273 0.72 KCNH3 (1.00) KCNH3

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-4456900-A1 RESPIRATORY STIMULANT PARENTERAL FORMULATIONS Enalare Therapeutics Inc. (US) 2024-11-06 — — EP disclosed
WO-2023129502-A1 RESPIRATORY STIMULANT PARENTERAL FORMULATIONS ENALARE THERAPEUTICS INC. (US) 2023-07-06 — — WO disclosed
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