SCHEMBL27339286

SCHEMBL27339286

c1cc(Nc2cc(NC3CC3)ncn2)cc(C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.49
DPP4 P27487 1/20 0.42
EGFR P00533 6/20 0.41
TNNI3K Q59H18 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ERBB4 Q15303 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL27323499 0.82 MEN1 (0.51) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL27339277 0.82 EGFR (0.45) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL27330845 0.82 TNNI3K (0.54) EGFRTNNI3KERBB3AURKA
SCHEMBL27334593 0.78 EGFR (0.41) DPP4EGFRTNNI3KMEN1KMT2A
SCHEMBL27408587 0.78 EGFR (0.58) PRCPEGFRTNNI3KMEN1KMT2A
SCHEMBL27318731 0.78 EGFR (0.47) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL27345375 0.78 MEN1 (0.69) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL27320738 0.78 KDM1A (0.48) EGFRPRKCICYP1A2
SCHEMBL27337230 0.78 FLT3 (0.45) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL8798647 0.76 EGFR (0.55) EGFRTNNI3KMEN1KMT2ANPC1

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