SCHEMBL27612940

SCHEMBL27612940

NC(=O)C=Nc1cccc(Nc2nc(NO)c(F)c(-c3ccccc3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.36
▸ ITK Q08881 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ADORA1 P30542 5/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ AURKA O14965 3/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ CDK19 Q9BWU1 1/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL656040 0.72 SYK (0.68) AURKAMAPK8AURKBCDK19SYK
SCHEMBL656041 0.72 SYK (0.68) AURKAMAPK8AURKBCDK19SYK
SCHEMBL6016129 0.70 BACE1 (0.33) EGFRITKSYK
SCHEMBL655883 0.67 EGFR (0.67) EGFRITKSYK
SCHEMBL657829 0.63 SYK (0.60) EGFRITKAURKASYK
SCHEMBL655927 0.63 SYK (0.58) EGFRITKAURKASYKCDK2
SCHEMBL655926 0.63 SYK (0.58) EGFRITKAURKASYKCDK2
SCHEMBL657828 0.63 SYK (0.60) EGFRITKAURKASYK
SCHEMBL27612697 0.63 RHOA (0.58) RHOAAURKAJAK2SYKHTT
SCHEMBL3764394 0.62 AURKA (0.58) EGFRITKRHOAAURKAMAPK8

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
Send feedback