SCHEMBL27612350

SCHEMBL27612350

COC(=O)c1cc(Nc2nc(N)c(F)c(-c3ccc(OC)c(C(=O)OC)c3)n2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ TP53 P04637 5/20 0.42
▸ RAD52 P43351 3/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 4/20 0.40
▸ PRNP P04156 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ BLM P54132 1/20 0.38
▸ SYK P43405 3/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL27612456 0.75 NEK2 (0.46) MAPTKMT2APOLBKDM4EHPGD
SCHEMBL27612534 0.73 MBOAT4 (0.43) KMT2AFLT3JAK2HPGD
SCHEMBL27631625 0.73 NEK2 (0.46) SYKKDM4EHPGD
SCHEMBL656368 0.72 EGFR (0.61) EGFRSYKMAPK8MAPK9
SCHEMBL1222450 0.71 AURKA (0.51) MAPTTP53RAD52KMT2AMEN1
SCHEMBL27612634 0.71 CA12 (0.47) EGFRKDM4EHPGD
SCHEMBL2849165 0.69 GAA (0.51) MAPTEGFRKDM4EHPGD
SCHEMBL15541724 0.68 KDM4E (0.54) MAPTKMT2AMEN1POLBEGFR
SCHEMBL27612697 0.68 RHOA (0.58) KMT2AMEN1JAK2SYK
SCHEMBL12853005 0.67 EGFR (0.55) MAPTKMT2AMEN1POLBEGFR

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-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 — — CN disclosed
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