SCHEMBL27295345

SCHEMBL27295345

Cn1cc2c(n1)-c1cccc(N)c1OCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.50
▸ PIK3CA P42336 1/20 0.36
▸ MAPK13 O15264 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ RGS12 O14924 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
SCHEMBL25319385 0.86 DRD4 (0.46) DRD4MMP12KMT2AMEN1RGS12
SCHEMBL27107109 0.82 DRD4 (0.48) DRD4PIK3CAMAPK13CSNK1DCSNK1E
SCHEMBL30703395 0.70 DRD4 (0.47) DRD4MMP12KMT2AALDH1A1MEN1
SCHEMBL25897379 0.70 DRD4 (0.47) DRD4MMP12KMT2AALDH1A1MEN1
SCHEMBL2708013 0.70 DRD4 (0.87) DRD4KCNH2MMP12KMT2APOLB
SCHEMBL25897359 0.69 DRD4 (0.33) DRD4KMT2AMEN1RGS12USP2
SCHEMBL29766557 0.69 DRD4 (0.46) DRD4MAPK14MMP12
SCHEMBL25316878 0.69 DRD4 (0.46) DRD4MAPK14MMP12
SCHEMBL29766565 0.69 LMNA (0.32) LMNAMAPT
SCHEMBL569841 0.69 PARP1 (0.56) PIK3CAKCNH2PARP1KMT2AALDH1A1

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
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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