SCHEMBL6779541

SCHEMBL6779541

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2cccc(OC)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45
TUBB1 Q9H4B7 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL6777740 0.91 LMNA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6777299 0.90 ALDH1A1 (0.43) HTTKMT2AALDH1A1LMNAMAPT
SCHEMBL6777443 0.89 ALDH1A1 (0.40) SMOHTTNPC1RAB9AKMT2A
SCHEMBL6894485 0.89 MAPT (0.43) CCR3ALDH1A1LMNAMAPT
SCHEMBL6773282 0.89 P2RY12 (0.43) CCR3KMT2AALDH1A1TSHRMAPK1
SCHEMBL6779180 0.84 KDM4E (0.40) FLT3HTTNPC1RAB9AKMT2A
SCHEMBL6777973 0.82 TLR7 (0.37) LMNA
SCHEMBL6778932 0.82 ALDH1A1 (0.41) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL6777586 0.82 PKM (0.47) CCR3HTTNPC1RAB9AKMT2A
SCHEMBL6772831 0.81 FAAH (0.38) ALDH1A1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed