SCHEMBL8093455

SCHEMBL8093455

COc1cc(Nc2nccc(-c3ccc(NCl)cc3)n2)ccc1N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.61
JAK3 P52333 4/20 0.61
ZAP70 P43403 1/20 0.60
IGF1R P08069 1/20 0.58
TNIK Q9UKE5 3/20 0.56
KCNH2 Q12809 2/20 0.56
SMG1 Q96Q15 2/20 0.54
MTOR P42345 1/20 0.54
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
EGFR P00533 1/20 0.51
CDK2 P24941 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PTK2B Q14289 1/20 0.51

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
SCHEMBL13588456 0.91 JAK2 (0.67) JAK2JAK3ZAP70IGF1RTNIK
Hydrochloric Acid SCHEMBL4383810 0.90 JAK2 (0.66) JAK2JAK3ZAP70IGF1RTNIK
SCHEMBL4376766 0.87 JAK2 (0.72) JAK2JAK3ZAP70IGF1RCCNT1
SCHEMBL4379791 0.86 JAK2 (0.62) JAK2JAK3ZAP70IGF1R
SCHEMBL12801393 0.84 JAK2 (0.69) JAK2JAK3ZAP70IGF1RTNIK
SCHEMBL1668203 0.84 JAK2 (0.59) JAK2JAK3ZAP70IGF1RTNIK
SCHEMBL4383496 0.83 JAK2 (0.59) JAK2JAK3ZAP70IGF1RCCNT1
SCHEMBL4376839 0.83 JAK2 (0.56) JAK2JAK3ZAP70MTORPIK3CA
SCHEMBL4376667 0.83 JAK2 (0.74) JAK2JAK3ZAP70IGF1RCCNT1
SCHEMBL4376656 0.83 JAK2 (0.74) JAK2JAK3ZAP70IGF1RCCNT1

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed