Sugi Predict

Sugi Predict / Compounds / SCHEMBL6206940

SCHEMBL6206940

SCHEMBL6206940

CN(CCc1ccncc1)c1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1.Fc1cc(I)ccc1Nc1c(-c2nnc(CNCCc3ccccn3)o2)ccc(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ CAMK2B Q13554 1/20 0.30

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
SCHEMBL6206946 0.92 MAP2K1 (0.34) MAP2K2MAP2K1PIM1CAMK2B
SCHEMBL6398380 0.88 MAP2K1 (0.38) TGFBR1TGFBR2MAP2K2MAP2K1PIM1
SCHEMBL6398384 0.87 MAP2K1 (0.38) MAP2K2MAP2K1PIM1CAMK2B
SCHEMBL6403621 0.86 MAP2K1 (0.39) MAP2K2MAP2K1PIM1CAMK2B
SCHEMBL6403618 0.84 MAP2K1 (0.40) MAP2K2MAP2K1PIM1CAMK2B
SCHEMBL6208372 0.83 TSHR (0.35) —
SCHEMBL6400416 0.80 KDM4E (0.35) TGFBR1TGFBR2
SCHEMBL6400419 0.79 KDM4E (0.38) —
SCHEMBL6400380 0.77 FLT1 (0.32) —
SCHEMBL6400379 0.76 KDR (0.33) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 — — EP claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 — — WO claimed