SCHEMBL5801667

SCHEMBL5801667

Cc1c(C(=O)O)cn2ncc(C#N)c(NC3CCCCC3)c12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.56
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 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
SCHEMBL3690032 0.87 MAP2K1 (0.62) MAP2K1JAK3
SCHEMBL6054273 0.78 MAP2K1 (0.61) MAP2K1JAK1JAK3
SCHEMBL6054292 0.77 MAP2K1 (0.61) MAP2K1
SCHEMBL6054279 0.76 MAP2K1 (0.59) MAP2K1JAK1JAK3
SCHEMBL5137524 0.75 MAP2K1 (0.55) MAP2K1JAK1TYK2JAK2JAK3
SCHEMBL3698281 0.75 MAP2K1 (0.83) MAP2K1
SCHEMBL6054389 0.74 MAP2K1 (0.64) MAP2K1
SCHEMBL3687094 0.74 MAP2K1 (0.76) MAP2K1
SCHEMBL3690543 0.74 MAP2K1 (0.80) MAP2K1
SCHEMBL3692520 0.73 MAP2K1 (0.77) MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578351-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2006-06-14 EP disclosed
EP-1578351-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2005-09-28 EP disclosed
WO-2003082208-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 WO disclosed