SCHEMBL6207380

SCHEMBL6207380

CCc1ccc(Nc2c(-c3nnc(N)o3)ccc(F)c2F)c(F)c1.Cc1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31
FLT1 P17948 3/20 0.31
KDR P35968 3/20 0.31
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
ROCK2 O75116 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
SCHEMBL6206926 0.81 LMNA (0.31)
SCHEMBL6206929 0.80 CDC7 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6207753 0.79 MAP2K2 (0.34) FLT1KDRMAP2K2MAP2K1
SCHEMBL6406191 0.78 ALDH1A1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6205424 0.78 ACHE (0.56)
SCHEMBL6400416 0.77 KDM4E (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6400419 0.77 KDM4E (0.38)
SCHEMBL6399618 0.76 FLT1 (0.31) FLT1KDRMAP2K2MAP2K1
SCHEMBL5399041 0.76 MAP2K2 (0.34) FLT1KDRMAP2K2MAP2K1
SCHEMBL6208642 0.76 CYP51A1 (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 disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO disclosed