SCHEMBL27520487

SCHEMBL27520487

c1cc(Nc2cc(NC3CC3)ncn2)cc(OC2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAP2K7 O14733 2/20 0.47
GALR2 O43603 3/20 0.47
GALR1 P47211 3/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL27345375 0.84 MEN1 (0.69) MEN1KMT2ANPC1RAB9AGALR2
SCHEMBL12488156 0.83 GALR2 (0.67) MEN1KMT2ANPC1RAB9AMAP2K7
SCHEMBL27339277 0.77 EGFR (0.45) MEN1KMT2ANPC1RAB9ATUBB4A
SCHEMBL27330845 0.77 TNNI3K (0.54) EGFRERBB3TNNI3K
SCHEMBL27323499 0.77 MEN1 (0.51) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL12481653 0.76 MEN1 (0.57) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL27339286 0.76 PRCP (0.49) MEN1KMT2ANPC1RAB9ATUBB4A
SCHEMBL374361 0.75 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATUBB4A
SCHEMBL8317346 0.75 EGFR (0.51) EGFR
SCHEMBL8801487 0.75 EGFR (0.50) MEN1KMT2ANPC1RAB9ATUBB4A

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
CN-1047778-C Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them THOMAE GMBH DR K (DE) 1999-12-29 CN disclosed