SCHEMBL6672860

SCHEMBL6672860

CCN(CC)C(CN)c1nc(C=Cc2ccccc2)nc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.46
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42

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
SCHEMBL6672856 1.00 FLT3 (0.46) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6667178 0.82 FLT3 (0.37) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6667175 0.82 FLT3 (0.37) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6672861 0.81 FLT3 (0.46) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6667816 0.79 FLT3 (0.42) FLT3
SCHEMBL6667818 0.79 FLT3 (0.42) FLT3
SCHEMBL3535365 0.74 FLT3 (0.70) FLT3
SCHEMBL3535367 0.74 FLT3 (0.70) FLT3
SCHEMBL3535717 0.73 TUBB4A (0.40) FLT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3535714 0.73 TUBB4A (0.40) FLT3TUBB4ATUBBTUBA3CTUBA1B

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-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed