SCHEMBL6050870

SCHEMBL6050870

[c]1nc2c(-c3nnnc4ccccc34)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR3 P46089 1/20 0.32
ADORA2A P29274 4/20 0.31
CYP2D6 P10635 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
SCHEMBL2679046 0.77 KDM4E (0.40) MAPT
SCHEMBL10411212 0.75
SCHEMBL16563088 0.73 KDM4E (0.30) MAPT
SCHEMBL7754182 0.73 KDM4E (0.37) LMNAMAPTSMN1; SMN2
SCHEMBL7670367 0.72 MAPT (0.40) LMNACYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL5925960 0.72 KDM4E (0.49) LMNACYP1A2MAPTCYP2D6
SCHEMBL4337978 0.72 LIMK1 (0.39)
SCHEMBL3075819 0.69 LMNA (0.75) LMNAHTTCYP1A2CYP2C19MAPT
SCHEMBL7463957 0.69 RAB9A (0.40) LMNACYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL7236507 0.68 NPC1 (0.41) CYP1A2MAPTSMN1; SMN2ADORA2A

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-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed