SCHEMBL6820253

SCHEMBL6820253

CCC(Nc1nc(N)nc(N(C)c2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
CES1 P23141 1/20 0.32
TACR1 P25103 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6207668 0.88 MAPK1 (0.35) MAPK1
SCHEMBL5554463 0.88 MAPK1 (0.40) MAPK1SMN1; SMN2KMT2AGALR1ALDH1A1
SCHEMBL5031464 0.87 GALR1 (0.40) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5553543 0.85 MAPK1 (0.37) MAPK1
SCHEMBL6207968 0.83 GALR1 (0.42) MAPK1GALR1PIK3CA
SCHEMBL6818937 0.81 MAPK1 (0.37) MAPK1SMN1; SMN2MEN1KMT2AGALR1
SCHEMBL5550421 0.79 MAPK1 (0.39) MAPK1SMN1; SMN2MEN1KMT2AGALR1
SCHEMBL6428528 0.79 GALR1 (0.35) MAPK1GALR1
SCHEMBL5554034 0.79 GALR1 (0.38) MAPK1SMN1; SMN2MEN1KMT2AGALR1
SCHEMBL6607370 0.78 GALR1 (0.39) MAPK1SMN1; SMN2MEN1KMT2AGALR1

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-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed